id
int64 0
1.55k
| molecules
dict | ground_truth
stringlengths 10
167
| messages
listlengths 3
3
|
|---|---|---|---|
200 |
{
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]",
"[C][C][Branch1][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][C][O]",
"[C][C][C][O][C][Ring1][Branch1]"
],
"smiles": [
"CC(C)(C)OC(=O)OC(=O)OC(C)(C)C",
"CC(C)(c1ccccc1)C(N)CO",
"C1CCOC1"
]
}
|
CC(C)(C)OC(=O)NC(CO)C(C)(C)c1ccccc1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d> Given the above reactants and reagents, what could be a probable product of their reaction?",
"role": "user"
},
{
"content": "CC(C)(C)OC(=O)NC(CO)C(C)(C)c1ccccc1",
"role": "assistant"
}
] |
201 |
{
"selfies": [
"[C][C][Branch1][C][C][O][B][Branch1][#Branch1][O][C][Branch1][C][C][C][O][C][Branch1][C][C][C]",
"[C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][F]",
"[C][C][C][O][C][Ring1][Branch1]",
"[Li][C][C][C][C]"
],
"smiles": [
"CC(C)OB(OC(C)C)OC(C)C",
"Cc1cc(Br)ccc1F",
"C1CCOC1",
"[Li]CCCC"
]
}
|
Cc1cc(B(O)O)ccc1F
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Given the above reactants and reagents, what could be a probable product of their reaction?",
"role": "user"
},
{
"content": "Cc1cc(B(O)O)ccc1F",
"role": "assistant"
}
] |
202 |
{
"selfies": [
"[C][N]",
"[C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][Cl][C][=C][Ring1][=Branch2][I]",
"[C][C][C][O][C][Ring1][Branch1]",
"[Cl][C][Cl]"
],
"smiles": [
"CN",
"Cc1ccc(C(=O)Cl)cc1I",
"C1CCOC1",
"ClCCl"
]
}
|
CNC(=O)c1ccc(C)c(I)c1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Using <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents, tell me the potential product.",
"role": "user"
},
{
"content": "CNC(=O)c1ccc(C)c(I)c1",
"role": "assistant"
}
] |
203 |
{
"selfies": [
"[C][C][C][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2]",
"[C][C][C][O][C][Ring1][Branch1]",
"[Pd]"
],
"smiles": [
"CCCCCCCCCCNC(=O)c1ccc([N+](=O)[O-])cc1",
"C1CCOC1",
"[Pd]"
]
}
|
CCCCCCCCCCNC(=O)c1ccc(N)cc1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "A chemical reaction has started with the substance(s) <molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents, what could be a probable product?",
"role": "user"
},
{
"content": "CCCCCCCCCCNC(=O)c1ccc(N)cc1",
"role": "assistant"
}
] |
204 |
{
"selfies": [
"[C][I]",
"[C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][Ring1][C][O][=C][Ring1][O][O]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][Branch1][C][C][Branch1][C][C][O-1]",
"[Cl]",
"[O]",
"[K+1]"
],
"smiles": [
"CI",
"Cc1ccc(C(C)C)c(CO)c1O",
"C1CCOC1",
"CC(C)(C)[O-]",
"Cl",
"O",
"[K+]"
]
}
|
COc1c(C)ccc(C(C)C)c1CO
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Predict a possible product from the listed reactants and reagents. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "COc1c(C)ccc(C(C)C)c1CO",
"role": "assistant"
}
] |
205 |
{
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Branch1][O][C][C][F][=C][Ring1][#Branch2]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][O]",
"[O]",
"[Al+3]",
"[H-1]",
"[H-1]",
"[H-1]",
"[H-1]",
"[Li+1]"
],
"smiles": [
"CCOC(=O)c1cccc(OCCF)c1",
"C1CCOC1",
"CCO",
"O",
"[Al+3]",
"[H-]",
"[H-]",
"[H-]",
"[H-]",
"[Li+]"
]
}
|
OCc1cccc(OCCF)c1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Please provide a feasible product that could be formed using these reactants and reagents: <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> .",
"role": "user"
},
{
"content": "OCc1cccc(OCCF)c1",
"role": "assistant"
}
] |
206 |
{
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][Br]",
"[O][C][C][O][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1]",
"[C][C][C][O][C][Ring1][Branch1]",
"[O][=C][Branch1][C][O-1][O-1]",
"[K+1]",
"[K+1]"
],
"smiles": [
"CC(C)(C)OC(=O)CBr",
"OCCOc1cccc(O)c1",
"C1CCOC1",
"O=C([O-])[O-]",
"[K+]",
"[K+]"
]
}
|
CC(C)(C)OC(=O)COc1cccc(OCCO)c1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Predict a possible product from the listed reactants and reagents. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "CC(C)(C)OC(=O)COc1cccc(OCCO)c1",
"role": "assistant"
}
] |
207 |
{
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][C][=C][C][=C][Branch1][#Branch2][C][S][Branch1][C][C][=Branch1][C][=O][=O][C][Branch1][C][F][=C][Ring1][N]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][O][C][C]",
"[O]",
"[Li+1]",
"[OH1-1]"
],
"smiles": [
"CCOC(=O)C(C)c1ccc(CS(C)(=O)=O)c(F)c1",
"C1CCOC1",
"CCOCC",
"O",
"[Li+]",
"[OH-]"
]
}
|
CC(C(=O)O)c1ccc(CS(C)(=O)=O)c(F)c1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Based on the reactants and reagents given above, suggest a possible product.",
"role": "user"
},
{
"content": "CC(C(=O)O)c1ccc(CS(C)(=O)=O)c(F)c1",
"role": "assistant"
}
] |
208 |
{
"selfies": [
"[C][C][Branch1][C][C][O][B][Branch1][#Branch1][O][C][Branch1][C][C][C][O][C][Branch1][C][C][C]",
"[C][C][Branch1][C][C][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1]",
"[C][C][C][O][C][Ring1][Branch1]",
"[Cl]",
"[Li][C][C][C][C]"
],
"smiles": [
"CC(C)OB(OC(C)C)OC(C)C",
"CC(C)c1cccc(Br)c1",
"C1CCOC1",
"Cl",
"[Li]CCCC"
]
}
|
CC(C)c1cccc(B(O)O)c1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Based on the given reactants and reagents: <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>, what product could potentially be produced?",
"role": "user"
},
{
"content": "CC(C)c1cccc(B(O)O)c1",
"role": "assistant"
}
] |
209 |
{
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][Branch1][N][C][C][O][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]",
"[C][N][C]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][C][C][N+1][Branch1][Branch1][C][C][C][C][Branch1][Branch1][C][C][C][C][C][C][C][C]",
"[I-1]"
],
"smiles": [
"CC(C)(C)OC(=O)NC(CCOS(C)(=O)=O)c1ccc(Cl)cc1",
"CNC",
"C1CCOC1",
"CCCC[N+](CCCC)(CCCC)CCCC",
"[I-]"
]
}
|
CN(C)CCC(NC(=O)OC(C)(C)C)c1ccc(Cl)cc1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Given the above reactants and reagents, what could be a probable product of their reaction?",
"role": "user"
},
{
"content": "CN(C)CCC(NC(=O)OC(C)(C)C)c1ccc(Cl)cc1",
"role": "assistant"
}
] |
210 |
{
"selfies": [
"[C][C][O][C][=C][C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][O][C][=Branch1][C][=O][O][C]",
"[C][C][C][O][C][Ring1][Branch1]",
"[Cl]",
"[O]",
"[Li+1]",
"[OH1-1]"
],
"smiles": [
"CCOc1cc(OC(F)(F)F)ccc1C(=O)OC",
"C1CCOC1",
"Cl",
"O",
"[Li+]",
"[OH-]"
]
}
|
CCOc1cc(OC(F)(F)F)ccc1C(=O)O
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Propose a potential product given these reactants and reagents. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "CCOc1cc(OC(F)(F)F)ccc1C(=O)O",
"role": "assistant"
}
] |
211 |
{
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][C][C][O][C][Ring1][Branch1]",
"[O]",
"[O][=S][=Branch1][C][=O][Branch1][C][O-1][O-1]",
"[Al+3]",
"[H-1]",
"[H-1]",
"[H-1]",
"[H-1]",
"[Li+1]",
"[Na+1]",
"[Na+1]"
],
"smiles": [
"CCOC(=O)COc1ccccc1OCC(F)(F)F",
"C1CCOC1",
"O",
"O=S(=O)([O-])[O-]",
"[Al+3]",
"[H-]",
"[H-]",
"[H-]",
"[H-]",
"[Li+]",
"[Na+]",
"[Na+]"
]
}
|
OCCOc1ccccc1OCC(F)(F)F
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Considering the given starting materials, what might be the resulting product in a chemical reaction?",
"role": "user"
},
{
"content": "OCCOc1ccccc1OCC(F)(F)F",
"role": "assistant"
}
] |
212 |
{
"selfies": [
"[C][C][Branch1][C][C][O][B][Branch1][#Branch1][O][C][Branch1][C][C][C][O][C][Branch1][C][C][C]",
"[N][#C][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][O][C][C]",
"[Cl]",
"[N][#N]",
"[Li][C][C][C][C]"
],
"smiles": [
"CC(C)OB(OC(C)C)OC(C)C",
"N#Cc1cccc(Br)c1",
"C1CCOC1",
"CCOCC",
"Cl",
"N#N",
"[Li]CCCC"
]
}
|
N#Cc1cccc(B(O)O)c1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Based on the given reactants and reagents: <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>, what product could potentially be produced?",
"role": "user"
},
{
"content": "N#Cc1cccc(B(O)O)c1",
"role": "assistant"
}
] |
213 |
{
"selfies": [
"[C][O][C][C][O]",
"[C][O][C][=C][C][Branch1][C][F][=C][Branch1][Ring1][C][#N][C][Branch1][C][F][=C][Ring1][#Branch2]",
"[C][C][C][O][C][Ring1][Branch1]",
"[O]",
"[H-1]",
"[Na+1]"
],
"smiles": [
"COCCO",
"COc1cc(F)c(C#N)c(F)c1",
"C1CCOC1",
"O",
"[H-]",
"[Na+]"
]
}
|
COCCOc1cc(OC)cc(F)c1C#N
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Predict a possible product from the listed reactants and reagents. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "COCCOc1cc(OC)cc(F)c1C#N",
"role": "assistant"
}
] |
214 |
{
"selfies": [
"[C][O][C][Cl]",
"[O][C][=C][C][Branch1][C][Br][=C][C][Branch1][C][Br][=C][Ring1][Branch2]",
"[C][C][C][O][C][Ring1][Branch1]",
"[H-1]",
"[Na+1]"
],
"smiles": [
"COCCl",
"Oc1cc(Br)cc(Br)c1",
"C1CCOC1",
"[H-]",
"[Na+]"
]
}
|
COCOc1cc(Br)cc(Br)c1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Please provide a feasible product that could be formed using these reactants and reagents: <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> .",
"role": "user"
},
{
"content": "COCOc1cc(Br)cc(Br)c1",
"role": "assistant"
}
] |
215 |
{
"selfies": [
"[C][O][C][=Branch1][C][=O][C][Branch1][#C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]",
"[C][C][C][O][C][Ring1][Branch1]",
"[Cl]",
"[Na+1]",
"[OH1-1]"
],
"smiles": [
"COC(=O)C(Cc1ccc(OC)cc1O)NC(=O)OC(C)(C)C",
"C1CCOC1",
"Cl",
"[Na+]",
"[OH-]"
]
}
|
COc1ccc(CC(NC(=O)OC(C)(C)C)C(=O)O)c(O)c1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Predict the product of a chemical reaction with <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents.",
"role": "user"
},
{
"content": "COc1ccc(CC(NC(=O)OC(C)(C)C)C(=O)O)c(O)c1",
"role": "assistant"
}
] |
216 |
{
"selfies": [
"[C][C][O][C][=C][C][=C][Branch1][=Branch2][C][C][C][=Branch1][C][=O][N][C][C][=C][Ring1][N][O][C][C]",
"[C][C][C][O][C][Ring1][Branch1]",
"[Al+3]",
"[H-1]",
"[H-1]",
"[H-1]",
"[H-1]",
"[Li+1]",
"[Na+1]",
"[OH1-1]"
],
"smiles": [
"CCOc1ccc(CCC(=O)NC)cc1OCC",
"C1CCOC1",
"[Al+3]",
"[H-]",
"[H-]",
"[H-]",
"[H-]",
"[Li+]",
"[Na+]",
"[OH-]"
]
}
|
CCOc1ccc(CCCNC)cc1OCC
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Based on the given reactants and reagents: <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>, what product could potentially be produced?",
"role": "user"
},
{
"content": "CCOc1ccc(CCCNC)cc1OCC",
"role": "assistant"
}
] |
217 |
{
"selfies": [
"[C][=C][C][C][Branch1][C][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][=O]",
"[C][C][C][O][C][Ring1][Branch1]",
"[Al+3]",
"[H-1]",
"[H-1]",
"[H-1]",
"[H-1]",
"[Li+1]"
],
"smiles": [
"C=CCC(C)Oc1cc(F)cc(F)c1C=O",
"C1CCOC1",
"[Al+3]",
"[H-]",
"[H-]",
"[H-]",
"[H-]",
"[Li+]"
]
}
|
C=CCC(C)Oc1cc(F)cc(F)c1CO
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Given the following reactants and reagents, please provide a possible product. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "C=CCC(C)Oc1cc(F)cc(F)c1CO",
"role": "assistant"
}
] |
218 |
{
"selfies": [
"[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Branch1][C][C][C][#N][=C][Ring1][#Branch2]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][O]",
"[Cl]",
"[Na+1]",
"[OH1-1]"
],
"smiles": [
"COC(=O)c1cccc(CCC#N)c1",
"C1CCOC1",
"CO",
"Cl",
"[Na+]",
"[OH-]"
]
}
|
N#CCCc1cccc(C(=O)O)c1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Considering the given starting materials, what might be the resulting product in a chemical reaction?",
"role": "user"
},
{
"content": "N#CCCc1cccc(C(=O)O)c1",
"role": "assistant"
}
] |
219 |
{
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][O][C][C][=C][C][=C][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][=C][Ring1][#Branch2]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][O][C][Branch1][C][C][=O]",
"[C][C][O][C][C]",
"[O]",
"[Al+3]",
"[H-1]",
"[H-1]",
"[H-1]",
"[H-1]",
"[Li+1]"
],
"smiles": [
"CC(C)(O)Cc1cccc(CC(=O)O)c1",
"C1CCOC1",
"CCOC(C)=O",
"CCOCC",
"O",
"[Al+3]",
"[H-]",
"[H-]",
"[H-]",
"[H-]",
"[Li+]"
]
}
|
CC(C)(O)Cc1cccc(CCO)c1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Predict the product of a chemical reaction with <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents.",
"role": "user"
},
{
"content": "CC(C)(O)Cc1cccc(CCO)c1",
"role": "assistant"
}
] |
220 |
{
"selfies": [
"[C][N]",
"[Cl][C][=C][C][=C][Branch1][#Branch1][O][C][C][C][C][Br][C][=C][Ring1][N][Cl]",
"[C][C][C][O][C][Ring1][Branch1]",
"[Ca+2]",
"[O-2]"
],
"smiles": [
"CN",
"Clc1ccc(OCCCCBr)cc1Cl",
"C1CCOC1",
"[Ca+2]",
"[O-2]"
]
}
|
CNCCCCOc1ccc(Cl)c(Cl)c1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Predict the product of a chemical reaction with <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents.",
"role": "user"
},
{
"content": "CNCCCCOc1ccc(Cl)c(Cl)c1",
"role": "assistant"
}
] |
221 |
{
"selfies": [
"[N]",
"[O][=C][Branch1][C][O][C][=C][Branch1][C][F][C][=C][Branch1][C][Br][C][=C][Ring1][Branch2][F]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][N][Branch1][Ring1][C][C][C][C]",
"[C][C][O][C][=Branch1][C][=O][Cl]"
],
"smiles": [
"N",
"O=C(O)c1c(F)cc(Br)cc1F",
"C1CCOC1",
"CCN(CC)CC",
"CCOC(=O)Cl"
]
}
|
NC(=O)c1c(F)cc(Br)cc1F
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Using <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents, tell me the potential product.",
"role": "user"
},
{
"content": "NC(=O)c1c(F)cc(Br)cc1F",
"role": "assistant"
}
] |
222 |
{
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][=C]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][Branch1][C][C][C][Al+1][C][C][Branch1][C][C][C]",
"[Cl]",
"[H-1]"
],
"smiles": [
"CCOC(=O)CCc1cccc(NC(=O)OC(C)(C)C)c1",
"C1CCOC1",
"CC(C)C[Al+]CC(C)C",
"Cl",
"[H-]"
]
}
|
CC(C)(C)OC(=O)Nc1cccc(CCCO)c1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Predict the product of a chemical reaction with <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents.",
"role": "user"
},
{
"content": "CC(C)(C)OC(=O)Nc1cccc(CCCO)c1",
"role": "assistant"
}
] |
223 |
{
"selfies": [
"[C][C][Branch1][C][C][O][B][Branch1][#Branch1][O][C][Branch1][C][C][C][O][C][Branch1][C][C][C]",
"[O][C][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][C][C][C][C]",
"[Cl]",
"[Li][C][C][C][C]"
],
"smiles": [
"CC(C)OB(OC(C)C)OC(C)C",
"OCCc1ccc(Br)cc1",
"C1CCOC1",
"CCCCCC",
"Cl",
"[Li]CCCC"
]
}
|
OCCc1ccc(B(O)O)cc1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Consider that for a chemical reaction, if <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> is/are the reactants and reagents, what can be the product?",
"role": "user"
},
{
"content": "OCCc1ccc(B(O)O)cc1",
"role": "assistant"
}
] |
224 |
{
"selfies": [
"[C][O][B][Branch1][Ring1][O][C][O][C]",
"[N][#C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][C][C][C][C]",
"[Li][C][C][C][C]"
],
"smiles": [
"COB(OC)OC",
"N#Cc1ccc(Br)cc1",
"C1CCOC1",
"CCCCCC",
"[Li]CCCC"
]
}
|
N#Cc1ccc(B(O)O)cc1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Predict a possible product from the listed reactants and reagents. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "N#Cc1ccc(B(O)O)cc1",
"role": "assistant"
}
] |
225 |
{
"selfies": [
"[O][=C][Branch1][C][O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Br][=C][Ring1][Branch2]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][N][Branch1][Ring1][C][C][C][C]",
"[C][O][C][=Branch1][C][=O][Cl]"
],
"smiles": [
"O=C(O)c1ccc(F)c(Br)c1",
"C1CCOC1",
"CCN(CC)CC",
"COC(=O)Cl"
]
}
|
OCc1ccc(F)c(Br)c1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Please provide a feasible product that could be formed using these reactants and reagents: <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> .",
"role": "user"
},
{
"content": "OCc1ccc(F)c(Br)c1",
"role": "assistant"
}
] |
226 |
{
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][Si][Branch1][C][C][Branch1][C][C][O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F]",
"[C][N][Branch1][C][C][C][=O]",
"[C][C][C][O][C][Ring1][Branch1]",
"[Li][C][Branch1][C][C][C][C]"
],
"smiles": [
"CC(C)(C)[Si](C)(C)Oc1cc(F)ccc1F",
"CN(C)C=O",
"C1CCOC1",
"[Li]C(C)CC"
]
}
|
CC(C)(C)[Si](C)(C)Oc1cc(F)cc(C=O)c1F
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Please provide a feasible product that could be formed using these reactants and reagents: <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> .",
"role": "user"
},
{
"content": "CC(C)(C)[Si](C)(C)Oc1cc(F)cc(C=O)c1F",
"role": "assistant"
}
] |
227 |
{
"selfies": [
"[C][N][Branch1][=N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][Branch1][C][C][O]",
"[Pd]"
],
"smiles": [
"CN(C(=O)C(C)(C)C)c1ccc(C#N)cc1",
"C1CCOC1",
"CC(C)O",
"[Pd]"
]
}
|
CN(C(=O)C(C)(C)C)c1ccc(CN)cc1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "A chemical reaction has started with the substance(s) <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents, what could be a probable product?",
"role": "user"
},
{
"content": "CN(C(=O)C(C)(C)C)c1ccc(CN)cc1",
"role": "assistant"
}
] |
228 |
{
"selfies": [
"[C][O]",
"[N][#C][C][=C][C][Branch1][C][F][=C][Branch1][C][N][C][=C][Ring1][Branch2][F]",
"[C][C][C][O][C][Ring1][Branch1]"
],
"smiles": [
"CO",
"N#Cc1cc(F)c(N)cc1F",
"C1CCOC1"
]
}
|
COc1cc(N)c(F)cc1C#N
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Using <molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents, tell me the potential product.",
"role": "user"
},
{
"content": "COc1cc(N)c(F)cc1C#N",
"role": "assistant"
}
] |
229 |
{
"selfies": [
"[C][=C][C][O][C][=C][C][=C][Branch2][Ring1][C][C][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=Branch1][C][=O][O][C][C][C][=C][Ring1][P]",
"[C][C][C][O][C][Ring1][Branch1]",
"[O]",
"[O]",
"[O]",
"[Li+1]",
"[OH1-1]"
],
"smiles": [
"C=CCOc1ccc(CC(NC(C)=O)C(=O)OCC)cc1",
"C1CCOC1",
"O",
"O",
"O",
"[Li+]",
"[OH-]"
]
}
|
C=CCOc1ccc(CC(NC(C)=O)C(=O)O)cc1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Can you tell me the potential product of a chemical reaction that uses <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents?",
"role": "user"
},
{
"content": "C=CCOc1ccc(CC(NC(C)=O)C(=O)O)cc1",
"role": "assistant"
}
] |
230 |
{
"selfies": [
"[C][C][Branch1][C][C][O][B][Branch1][#Branch1][O][C][Branch1][C][C][C][O][C][Branch1][C][C][C]",
"[C][C][O][C][C][O][C][=C][C][Branch1][C][C][=C][Branch1][C][Br][C][Branch1][C][C][=C][Ring1][=Branch2]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][C][C][C][C]",
"[C][C][O][C][Branch1][C][C][=O]",
"[Cl]",
"[O]",
"[Li][C][C][C][C]"
],
"smiles": [
"CC(C)OB(OC(C)C)OC(C)C",
"CCOCCOc1cc(C)c(Br)c(C)c1",
"C1CCOC1",
"CCCCCC",
"CCOC(C)=O",
"Cl",
"O",
"[Li]CCCC"
]
}
|
CCOCCOc1cc(C)c(B(O)O)c(C)c1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Given the following reactants and reagents, please provide a possible product. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "CCOCCOc1cc(C)c(B(O)O)c(C)c1",
"role": "assistant"
}
] |
231 |
{
"selfies": [
"[C][C][Branch1][#Branch1][C][N][Branch1][C][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2]",
"[C][C][C][C][C][O][Ring1][Branch1]",
"[H][H]",
"[Pd]"
],
"smiles": [
"CC(CN(C)C)C(=O)c1cccc([N+](=O)[O-])c1",
"CC1CCCO1",
"[H][H]",
"[Pd]"
]
}
|
CC(CN(C)C)C(=O)c1cccc(N)c1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "A chemical reaction has started with the substance(s) <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents, what could be a probable product?",
"role": "user"
},
{
"content": "CC(CN(C)C)C(=O)c1cccc(N)c1",
"role": "assistant"
}
] |
232 |
{
"selfies": [
"[C][N][C][C][O]",
"[O][=C][=N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=N]",
"[C][C][C][O][C][Ring1][Branch1]"
],
"smiles": [
"CNCCO",
"O=C=Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1",
"C1CCOC1"
]
}
|
CN(CCO)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d> Based on the reactants and reagents given above, suggest a possible product.",
"role": "user"
},
{
"content": "CN(CCO)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1",
"role": "assistant"
}
] |
233 |
{
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]",
"[C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N]",
"[C][C][C][O][C][Ring1][Branch1]"
],
"smiles": [
"CC(C)(C)OC(=O)OC(=O)OC(C)(C)C",
"COc1ccc(Br)cc1N",
"C1CCOC1"
]
}
|
COc1ccc(Br)cc1NC(=O)OC(C)(C)C
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Predict a possible product from the listed reactants and reagents. <molecule_2d>.<molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "COc1ccc(Br)cc1NC(=O)OC(C)(C)C",
"role": "assistant"
}
] |
234 |
{
"selfies": [
"[C][N][Branch1][C][C][C][=O]",
"[F][C][=C][C][=C][Branch1][C][Br][C][Branch1][=Branch1][C][Branch1][C][F][F][=C][Ring1][#Branch2]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][Branch1][C][C][Mg][Br]",
"[O]"
],
"smiles": [
"CN(C)C=O",
"Fc1ccc(Br)c(C(F)F)c1",
"C1CCOC1",
"CC(C)[Mg]Br",
"O"
]
}
|
O=Cc1ccc(F)cc1C(F)F
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Based on the reactants and reagents given above, suggest a possible product.",
"role": "user"
},
{
"content": "O=Cc1ccc(F)cc1C(F)F",
"role": "assistant"
}
] |
235 |
{
"selfies": [
"[C][C][=Branch1][C][=O][C][C][C][C][#N]",
"[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1]",
"[C][C][C][O][C][Ring1][Branch1]",
"[Cl]",
"[I][I]",
"[O]",
"[Mg]"
],
"smiles": [
"CC(=O)CCCC#N",
"FC(F)(F)c1cccc(Br)c1",
"C1CCOC1",
"Cl",
"II",
"O",
"[Mg]"
]
}
|
CC(O)(CCCC#N)c1cccc(C(F)(F)F)c1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Considering the given starting materials, what might be the resulting product in a chemical reaction?",
"role": "user"
},
{
"content": "CC(O)(CCCC#N)c1cccc(C(F)(F)F)c1",
"role": "assistant"
}
] |
236 |
{
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2]",
"[C]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][O]",
"[Pd]"
],
"smiles": [
"CC(C)(C)OC(=O)Nc1cccc([N+](=O)[O-])c1",
"C",
"C1CCOC1",
"CCO",
"[Pd]"
]
}
|
CC(C)(C)OC(=O)Nc1cccc(N)c1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Given the following reactants and reagents, please provide a possible product. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "CC(C)(C)OC(=O)Nc1cccc(N)c1",
"role": "assistant"
}
] |
237 |
{
"selfies": [
"[C][C][Branch1][C][C][O][B][Branch1][#Branch1][O][C][Branch1][C][C][C][O][C][Branch1][C][C][C]",
"[C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Br]",
"[C][C][C][O][C][Ring1][Branch1]"
],
"smiles": [
"CC(C)OB(OC(C)C)OC(C)C",
"Cc1c(Cl)cccc1Br",
"C1CCOC1"
]
}
|
Cc1c(Cl)cccc1B(O)O
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Predict a possible product from the listed reactants and reagents. <molecule_2d>.<molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "Cc1c(Cl)cccc1B(O)O",
"role": "assistant"
}
] |
238 |
{
"selfies": [
"[C][O][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Branch1][C][N][C][Branch1][C][C][=C][Ring1][O][C][=Branch1][C][=O][O][C]",
"[C][C][C][O][C][Ring1][Branch1]",
"[Cl]",
"[O]",
"[Na+1]",
"[OH1-1]"
],
"smiles": [
"COC(=O)c1cc([N+](=O)[O-])c(N)c(C)c1C(=O)OC",
"C1CCOC1",
"Cl",
"O",
"[Na+]",
"[OH-]"
]
}
|
COC(=O)c1c(C(=O)O)cc([N+](=O)[O-])c(N)c1C
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Can you tell me the potential product of a chemical reaction that uses <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents?",
"role": "user"
},
{
"content": "COC(=O)c1c(C(=O)O)cc([N+](=O)[O-])c(N)c1C",
"role": "assistant"
}
] |
239 |
{
"selfies": [
"[N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Cl]",
"[C][C][C][O][C][Ring1][Branch1]",
"[Al+3]",
"[H-1]",
"[H-1]",
"[H-1]",
"[H-1]",
"[Li+1]"
],
"smiles": [
"NC(=O)Cc1ccc(F)cc1Cl",
"C1CCOC1",
"[Al+3]",
"[H-]",
"[H-]",
"[H-]",
"[H-]",
"[Li+]"
]
}
|
NCCc1ccc(F)cc1Cl
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Predict a possible product from the listed reactants and reagents. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "NCCc1ccc(F)cc1Cl",
"role": "assistant"
}
] |
240 |
{
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]",
"[N][#C][C][=C][C][=C][C][Branch1][O][C][C][Branch1][C][N][C][=Branch1][C][=O][O][=C][Ring1][N]",
"[C][C][C][O][C][Ring1][Branch1]",
"[O]",
"[O][=C][Branch1][C][O-1][O-1]",
"[Na+1]",
"[Na+1]"
],
"smiles": [
"CC(C)(C)OC(=O)OC(=O)OC(C)(C)C",
"N#Cc1cccc(CC(N)C(=O)O)c1",
"C1CCOC1",
"O",
"O=C([O-])[O-]",
"[Na+]",
"[Na+]"
]
}
|
CC(C)(C)OC(=O)NC(Cc1cccc(C#N)c1)C(=O)O
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Can you tell me the potential product of a chemical reaction that uses <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents?",
"role": "user"
},
{
"content": "CC(C)(C)OC(=O)NC(Cc1cccc(C#N)c1)C(=O)O",
"role": "assistant"
}
] |
241 |
{
"selfies": [
"[N][#C][C][=C][C][=C][Branch1][Ring1][C][=O][C][=C][Ring1][Branch2]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][O]",
"[BH4-1]",
"[Na+1]"
],
"smiles": [
"N#Cc1ccc(C=O)cc1",
"C1CCOC1",
"CCO",
"[BH4-]",
"[Na+]"
]
}
|
N#Cc1ccc(CO)cc1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Consider that for a chemical reaction, if <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> is/are the reactants and reagents, what can be the product?",
"role": "user"
},
{
"content": "N#Cc1ccc(CO)cc1",
"role": "assistant"
}
] |
242 |
{
"selfies": [
"[C][C][C][C][C][C][C][N][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1]",
"[C][O][B][Branch1][Ring1][O][C][O][C]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][C][C][C]",
"[Li][C]",
"[Li][C][Branch1][C][C][Branch1][C][C][C]"
],
"smiles": [
"CCCCCCCNC(=O)N(C)c1cccc(Br)c1",
"COB(OC)OC",
"C1CCOC1",
"CCCCC",
"[Li]C",
"[Li]C(C)(C)C"
]
}
|
CCCCCCCNC(=O)N(C)c1cccc(B(O)O)c1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Predict the product of a chemical reaction with <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents.",
"role": "user"
},
{
"content": "CCCCCCCNC(=O)N(C)c1cccc(B(O)O)c1",
"role": "assistant"
}
] |
243 |
{
"selfies": [
"[C][C][N][C][C]",
"[O][=C][Branch1][C][O][C][=C][C][=C][Branch1][Ring1][C][Br][C][=C][Ring1][Branch2]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][O][C][C]",
"[C][N][Branch1][C][C][C][=O]",
"[O]",
"[O][=C][Branch1][C][Cl][C][=Branch1][C][=O][Cl]"
],
"smiles": [
"CCNCC",
"O=C(O)c1ccc(CBr)cc1",
"C1CCOC1",
"CCOCC",
"CN(C)C=O",
"O",
"O=C(Cl)C(=O)Cl"
]
}
|
CCN(CC)C(=O)c1ccc(CBr)cc1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Predict the product of a chemical reaction with <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents.",
"role": "user"
},
{
"content": "CCN(CC)C(=O)c1ccc(CBr)cc1",
"role": "assistant"
}
] |
244 |
{
"selfies": [
"[C][N][Branch1][Ring2][C][C][=O][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[C][N][C][C][O][C][C][O][C][C][O][C][C][N][=N+1][=N-1]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][=Branch1][C][=O][O]",
"[C][C][=Branch1][C][=O][O][BH1-1][Branch1][#Branch1][O][C][Branch1][C][C][=O][O][C][Branch1][C][C][=O]",
"[C][C][O][C][Branch1][C][C][=O]",
"[Na+1]"
],
"smiles": [
"CN(CC=O)C(=O)OCc1ccccc1",
"CNCCOCCOCCOCCN=[N+]=[N-]",
"C1CCOC1",
"CC(=O)O",
"CC(=O)O[BH-](OC(C)=O)OC(C)=O",
"CCOC(C)=O",
"[Na+]"
]
}
|
CN(CCOCCOCCOCCN=[N+]=[N-])CCN(C)C(=O)OCc1ccccc1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Based on the given reactants and reagents: <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>, what product could potentially be produced?",
"role": "user"
},
{
"content": "CN(CCOCCOCCOCCN=[N+]=[N-])CCN(C)C(=O)OCc1ccccc1",
"role": "assistant"
}
] |
245 |
{
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][Branch1][O][C][O][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[C][N][C]",
"[C][C][C][O][C][Ring1][Branch1]"
],
"smiles": [
"CC(C)(C)OC(=O)NC(COS(C)(=O)=O)CC(=O)OCc1ccccc1",
"CNC",
"C1CCOC1"
]
}
|
CN(C)CC(CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Predict a possible product from the listed reactants and reagents. <molecule_2d>.<molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "CN(C)CC(CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C",
"role": "assistant"
}
] |
246 |
{
"selfies": [
"[C][O][C][=Branch1][C][=O][C][Branch1][S][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1]",
"[C][C][C][O][C][Ring1][Branch1]",
"[O]",
"[O]",
"[Li+1]",
"[OH1-1]"
],
"smiles": [
"COC(=O)C(CNC(=O)OC(C)(C)C)c1ccc(C)cc1",
"C1CCOC1",
"O",
"O",
"[Li+]",
"[OH-]"
]
}
|
Cc1ccc(C(CNC(=O)OC(C)(C)C)C(=O)O)cc1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Please provide a feasible product that could be formed using these reactants and reagents: <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> .",
"role": "user"
},
{
"content": "Cc1ccc(C(CNC(=O)OC(C)(C)C)C(=O)O)cc1",
"role": "assistant"
}
] |
247 |
{
"selfies": [
"[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][Branch1][C][C][=C][Ring1][Branch2]",
"[C][C][C][O][C][Ring1][Branch1]",
"[BH4-1]",
"[Li+1]"
],
"smiles": [
"COC(=O)c1ccc(Br)c(C)c1",
"C1CCOC1",
"[BH4-]",
"[Li+]"
]
}
|
Cc1cc(CO)ccc1Br
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Given the above reactants and reagents, what could be a probable product of their reaction?",
"role": "user"
},
{
"content": "Cc1cc(CO)ccc1Br",
"role": "assistant"
}
] |
248 |
{
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][C][C][C][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2]",
"[C][C][C][O][C][Ring1][Branch1]",
"[O]",
"[Na+1]",
"[OH1-1]"
],
"smiles": [
"CCOC(=O)CCCCc1cccc(OC)c1",
"C1CCOC1",
"O",
"[Na+]",
"[OH-]"
]
}
|
COc1cccc(CCCCC(=O)O)c1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "A chemical reaction has started with the substance(s) <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents, what could be a probable product?",
"role": "user"
},
{
"content": "COc1cccc(CCCCC(=O)O)c1",
"role": "assistant"
}
] |
249 |
{
"selfies": [
"[C][C][C][Branch1][C][F][C][Branch1][C][N][C][O]",
"[O][=C][Branch1][C][Cl][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[C][C][C][O][C][Ring1][Branch1]",
"[Cl]",
"[O]",
"[O][=C][Branch1][C][O-1][O]",
"[O][=C][Branch1][C][O-1][O-1]",
"[K+1]",
"[K+1]",
"[Na+1]"
],
"smiles": [
"CCC(F)C(N)CO",
"O=C(Cl)OCc1ccccc1",
"C1CCOC1",
"Cl",
"O",
"O=C([O-])O",
"O=C([O-])[O-]",
"[K+]",
"[K+]",
"[Na+]"
]
}
|
CCC(F)C(CO)NC(=O)OCc1ccccc1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Predict a possible product from the listed reactants and reagents. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "CCC(F)C(CO)NC(=O)OCc1ccccc1",
"role": "assistant"
}
] |
250 |
{
"selfies": [
"[C][=C][Branch1][C][C][C][=Branch1][C][=O][Cl]",
"[C][C][Branch1][C][C][Branch1][C][O][C][C][Si][Branch1][=Branch2][Si][Branch1][C][C][Branch1][C][C][C][Branch1][=Branch2][Si][Branch1][C][C][Branch1][C][C][C][Si][Branch1][C][C][Branch1][C][C][C]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][C][C][C]",
"[C][C][N][Branch1][Ring1][C][C][C][C]",
"[C][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Branch1][C][O][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][#C]"
],
"smiles": [
"C=C(C)C(=O)Cl",
"CC(C)(O)CC[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C",
"C1CCOC1",
"CCCCC",
"CCN(CC)CC",
"Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1"
]
}
|
C=C(C)C(=O)OC(C)(C)CC[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Based on the given reactants and reagents: <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>, what product could potentially be produced?",
"role": "user"
},
{
"content": "C=C(C)C(=O)OC(C)(C)CC[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C",
"role": "assistant"
}
] |
251 |
{
"selfies": [
"[C][O][C][=Branch1][C][=O][C][C][C][C][C][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][Branch1][C][C][C][Al+1][C][C][Branch1][C][C][C]",
"[C][O]",
"[Cl]",
"[H-1]"
],
"smiles": [
"COC(=O)CCCCCNC(=O)OCc1ccccc1",
"C1CCOC1",
"CC(C)C[Al+]CC(C)C",
"CO",
"Cl",
"[H-]"
]
}
|
O=C(NCCCCCCO)OCc1ccccc1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Using <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents, tell me the potential product.",
"role": "user"
},
{
"content": "O=C(NCCCCCCO)OCc1ccccc1",
"role": "assistant"
}
] |
252 |
{
"selfies": [
"[C][C][Branch1][C][C][O][B][Branch1][#Branch1][O][C][Branch1][C][C][C][O][C][Branch1][C][C][C]",
"[F][C][Branch1][C][F][Branch1][C][F][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][O][C][Branch1][C][C][=O]",
"[Cl]",
"[Li][C][C][C][C]"
],
"smiles": [
"CC(C)OB(OC(C)C)OC(C)C",
"FC(F)(F)Oc1ccccc1Br",
"C1CCOC1",
"CCOC(C)=O",
"Cl",
"[Li]CCCC"
]
}
|
OB(O)c1ccccc1OC(F)(F)F
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Based on the reactants and reagents given above, suggest a possible product.",
"role": "user"
},
{
"content": "OB(O)c1ccccc1OC(F)(F)F",
"role": "assistant"
}
] |
253 |
{
"selfies": [
"[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][N]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][O]",
"[O]",
"[O]",
"[Li][O]"
],
"smiles": [
"COC(=O)c1ccc(C(=O)O)cc1N",
"C1CCOC1",
"CO",
"O",
"O",
"[Li]O"
]
}
|
Nc1cc(C(=O)O)ccc1C(=O)O
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Predict the product of a chemical reaction with <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents.",
"role": "user"
},
{
"content": "Nc1cc(C(=O)O)ccc1C(=O)O",
"role": "assistant"
}
] |
254 |
{
"selfies": [
"[C][O][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][C][#N][=C][C][Branch1][Ring1][C][#N][=C][Ring1][#Branch2]",
"[C][C][C][O][C][Ring1][Branch1]",
"[O]",
"[Li+1]",
"[OH1-1]"
],
"smiles": [
"COC(=O)c1cc(C#N)cc(C#N)c1",
"C1CCOC1",
"O",
"[Li+]",
"[OH-]"
]
}
|
N#Cc1cc(C#N)cc(C(=O)O)c1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Propose a potential product given these reactants and reagents. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "N#Cc1cc(C#N)cc(C(=O)O)c1",
"role": "assistant"
}
] |
255 |
{
"selfies": [
"[N][C][Branch1][P][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][O]",
"[C][C][C][O][C][Ring1][Branch1]",
"[O]",
"[Al+3]",
"[H-1]",
"[H-1]",
"[H-1]",
"[H-1]",
"[Li+1]",
"[Na+1]",
"[OH1-1]"
],
"smiles": [
"NC(Cc1ccc([N+](=O)[O-])cc1)C(=O)O",
"C1CCOC1",
"O",
"[Al+3]",
"[H-]",
"[H-]",
"[H-]",
"[H-]",
"[Li+]",
"[Na+]",
"[OH-]"
]
}
|
NC(CO)Cc1ccc([N+](=O)[O-])cc1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Considering the given starting materials, what might be the resulting product in a chemical reaction?",
"role": "user"
},
{
"content": "NC(CO)Cc1ccc([N+](=O)[O-])cc1",
"role": "assistant"
}
] |
256 |
{
"selfies": [
"[C][C][=C][C][=C][Branch1][C][N][C][Branch1][C][O][=C][Ring1][Branch2]",
"[O][=C][Branch1][C][Cl][C][Cl]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][N][Branch1][Ring1][C][C][C][C]"
],
"smiles": [
"Cc1ccc(N)c(O)c1",
"O=C(Cl)CCl",
"C1CCOC1",
"CCN(CC)CC"
]
}
|
Cc1ccc(NC(=O)CCl)c(O)c1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Based on the given reactants and reagents: <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>, what product could potentially be produced?",
"role": "user"
},
{
"content": "Cc1ccc(NC(=O)CCl)c(O)c1",
"role": "assistant"
}
] |
257 |
{
"selfies": [
"[N][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[O][=C][Branch1][C][Cl][C][C][Cl]",
"[C][C][C][O][C][Ring1][Branch1]"
],
"smiles": [
"Nc1ccccc1",
"O=C(Cl)CCCl",
"C1CCOC1"
]
}
|
O=C(CCCl)Nc1ccccc1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "A chemical reaction has started with the substance(s) <molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents, what could be a probable product?",
"role": "user"
},
{
"content": "O=C(CCCl)Nc1ccccc1",
"role": "assistant"
}
] |
258 |
{
"selfies": [
"[C][=C][C][Br]",
"[O][=C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][Cl][=C][Ring1][Branch2]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][N][Branch1][C][C][C][=O]",
"[O]",
"[H-1]",
"[Na+1]"
],
"smiles": [
"C=CCBr",
"O=Cc1ccc(O)c(Cl)c1",
"C1CCOC1",
"CN(C)C=O",
"O",
"[H-]",
"[Na+]"
]
}
|
C=CCOc1ccc(C=O)cc1Cl
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Propose a potential product given these reactants and reagents. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "C=CCOc1ccc(C=O)cc1Cl",
"role": "assistant"
}
] |
259 |
{
"selfies": [
"[C][C][C][C][C][C][Branch1][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][N][Branch1][=N][C][C][#C][C][C][C][C][=Branch1][C][=O][O][C][C][Branch1][C][C][=O][C][=C][Ring2][Ring1][Ring2]",
"[C][C][C][O][C][Ring1][Branch1]",
"[O]",
"[O][=C][Branch1][C][O][C][C][Branch1][C][O][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O]",
"[Li+1]",
"[OH1-1]"
],
"smiles": [
"CCCCCC(O)c1ccc(N(CC#CCCCC(=O)OC)C(C)=O)cc1",
"C1CCOC1",
"O",
"O=C(O)CC(O)(CC(=O)O)C(=O)O",
"[Li+]",
"[OH-]"
]
}
|
CCCCCC(O)c1ccc(N(CC#CCCCC(=O)O)C(C)=O)cc1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Predict the product of a chemical reaction with <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents.",
"role": "user"
},
{
"content": "CCCCCC(O)c1ccc(N(CC#CCCCC(=O)O)C(C)=O)cc1",
"role": "assistant"
}
] |
260 |
{
"selfies": [
"[C][C][C][=C][C][C][=C][C][C][=C][C][C][=C][C][C][=C][C][C][C][C][=Branch1][C][=O][N][C][Branch2][Ring1][C][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C]",
"[C][C][C][O][C][Ring1][Branch1]",
"[Cl]",
"[Na+1]",
"[OH1-1]"
],
"smiles": [
"CCC=CCC=CCC=CCC=CCC=CCCCC(=O)NC(CCCCNC(=O)c1cccnc1)C(=O)OC",
"C1CCOC1",
"Cl",
"[Na+]",
"[OH-]"
]
}
|
CCC=CCC=CCC=CCC=CCC=CCCCC(=O)NC(CCCCNC(=O)c1cccnc1)C(=O)O
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Please provide a feasible product that could be formed using these reactants and reagents: <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> .",
"role": "user"
},
{
"content": "CCC=CCC=CCC=CCC=CCC=CCCCC(=O)NC(CCCCNC(=O)c1cccnc1)C(=O)O",
"role": "assistant"
}
] |
261 |
{
"selfies": [
"[C][C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Branch1][Ring1][O][C][N][=C][Ring1][O][C]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][O]",
"[Pd]"
],
"smiles": [
"CCc1cc([N+](=O)[O-])c(OC)nc1C",
"C1CCOC1",
"CO",
"[Pd]"
]
}
|
CCc1cc(N)c(OC)nc1C
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Given the above reactants and reagents, what could be a probable product of their reaction?",
"role": "user"
},
{
"content": "CCc1cc(N)c(OC)nc1C",
"role": "assistant"
}
] |
262 |
{
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][#Branch1][C][Branch1][C][C][S][C][=C][N][=C][Ring1][#Branch2][C][Branch1][C][F][Branch1][C][F][F]",
"[C][C][C][O][C][Ring1][Branch1]",
"[Cl]",
"[Li+1]",
"[OH1-1]"
],
"smiles": [
"CCOC(=O)c1cc(C(C)SC)cnc1C(F)(F)F",
"C1CCOC1",
"Cl",
"[Li+]",
"[OH-]"
]
}
|
CSC(C)c1cnc(C(F)(F)F)c(C(=O)O)c1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Predict a possible product from the listed reactants and reagents. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "CSC(C)c1cnc(C(F)(F)F)c(C(=O)O)c1",
"role": "assistant"
}
] |
263 |
{
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][Ring1][N][C][=N][Ring1][Branch2]",
"[C][C][C][O][C][Ring1][Branch1]",
"[Al+3]",
"[H-1]",
"[H-1]",
"[H-1]",
"[H-1]",
"[Li+1]"
],
"smiles": [
"CCOC(=O)Cc1cccc(NC)n1",
"C1CCOC1",
"[Al+3]",
"[H-]",
"[H-]",
"[H-]",
"[H-]",
"[Li+]"
]
}
|
CNc1cccc(CCO)n1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Predict the product of a chemical reaction with <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents.",
"role": "user"
},
{
"content": "CNc1cccc(CCO)n1",
"role": "assistant"
}
] |
264 |
{
"selfies": [
"[C][C][N]",
"[Cl][C][C][C][O][C][=C][C][=C][N][=C][Ring1][=Branch1]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][O]"
],
"smiles": [
"CCN",
"ClCCCOc1cccnc1",
"C1CCOC1",
"CO"
]
}
|
CCNCCCOc1cccnc1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Propose a potential product given these reactants and reagents. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "CCNCCCOc1cccnc1",
"role": "assistant"
}
] |
265 |
{
"selfies": [
"[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][N][=C][Ring1][Branch2]",
"[C][C][C][O][C][Ring1][Branch1]",
"[O][=C][Branch1][C][O-1][C][Branch1][C][O][C][Branch1][C][O][C][=Branch1][C][=O][O-1]",
"[Al+3]",
"[H-1]",
"[H-1]",
"[H-1]",
"[H-1]",
"[K+1]",
"[Li+1]",
"[Na+1]"
],
"smiles": [
"COC(=O)c1ccc(OC)nc1",
"C1CCOC1",
"O=C([O-])C(O)C(O)C(=O)[O-]",
"[Al+3]",
"[H-]",
"[H-]",
"[H-]",
"[H-]",
"[K+]",
"[Li+]",
"[Na+]"
]
}
|
COc1ccc(CO)cn1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Predict the product of a chemical reaction with <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents.",
"role": "user"
},
{
"content": "COc1ccc(CO)cn1",
"role": "assistant"
}
] |
266 |
{
"selfies": [
"[C][=C][C][=N][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Branch1][Ring1][O][C][C][Branch1][C][N][=C][Ring1][=N][F]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][O]",
"[O]",
"[O]",
"[Li+1]",
"[OH1-1]"
],
"smiles": [
"C=Cc1nc(C(=O)OC)c(OC)c(N)c1F",
"C1CCOC1",
"CO",
"O",
"O",
"[Li+]",
"[OH-]"
]
}
|
C=Cc1nc(C(=O)O)c(OC)c(N)c1F
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Based on the given reactants and reagents: <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>, what product could potentially be produced?",
"role": "user"
},
{
"content": "C=Cc1nc(C(=O)O)c(OC)c(N)c1F",
"role": "assistant"
}
] |
267 |
{
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]",
"[C][O][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][C][N]",
"[C][C][C][O][C][Ring1][Branch1]"
],
"smiles": [
"CC(C)(C)OC(=O)OC(=O)OC(C)(C)C",
"COc1nc(C)cc(C)c1CN",
"C1CCOC1"
]
}
|
COc1nc(C)cc(C)c1CNC(=O)OC(C)(C)C
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Using <molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents, tell me the potential product.",
"role": "user"
},
{
"content": "COc1nc(C)cc(C)c1CNC(=O)OC(C)(C)C",
"role": "assistant"
}
] |
268 |
{
"selfies": [
"[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][N][=C][Ring1][#Branch1]",
"[C][C][C][O][C][Ring1][Branch1]",
"[Al+3]",
"[H-1]",
"[H-1]",
"[H-1]",
"[H-1]",
"[Li+1]"
],
"smiles": [
"COC(=O)c1ccc(C)nc1",
"C1CCOC1",
"[Al+3]",
"[H-]",
"[H-]",
"[H-]",
"[H-]",
"[Li+]"
]
}
|
Cc1ccc(CO)cn1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Please provide a feasible product that could be formed using these reactants and reagents: <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> .",
"role": "user"
},
{
"content": "Cc1ccc(CO)cn1",
"role": "assistant"
}
] |
269 |
{
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][C][O][C][=N][Ring1][Branch2]",
"[C][S][=Branch1][C][=O][=Branch1][C][=O][Cl]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C]"
],
"smiles": [
"CC(C)(C)OC(=O)Nc1ccc(CO)cn1",
"CS(=O)(=O)Cl",
"C1CCOC1",
"CCN(C(C)C)C(C)C"
]
}
|
CC(C)(C)OC(=O)Nc1ccc(COS(C)(=O)=O)cn1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Given the following reactants and reagents, please provide a possible product. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "CC(C)(C)OC(=O)Nc1ccc(COS(C)(=O)=O)cn1",
"role": "assistant"
}
] |
270 |
{
"selfies": [
"[C][O][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][#Branch2]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][O][C][C]",
"[Al+3]",
"[H-1]",
"[H-1]",
"[H-1]",
"[H-1]",
"[Li+1]"
],
"smiles": [
"COC(=O)c1cncc(C(=O)OC)c1",
"C1CCOC1",
"CCOCC",
"[Al+3]",
"[H-]",
"[H-]",
"[H-]",
"[H-]",
"[Li+]"
]
}
|
COC(=O)c1cncc(CO)c1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Given the above reactants and reagents, what could be a probable product of their reaction?",
"role": "user"
},
{
"content": "COC(=O)c1cncc(CO)c1",
"role": "assistant"
}
] |
271 |
{
"selfies": [
"[N][#C][C][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1]",
"[C][C][C][O][C][Ring1][Branch1]",
"[O]",
"[Al+3]",
"[H-1]",
"[H-1]",
"[H-1]",
"[H-1]",
"[Li+1]",
"[Na+1]",
"[OH1-1]"
],
"smiles": [
"N#CCCCc1ccncc1",
"C1CCOC1",
"O",
"[Al+3]",
"[H-]",
"[H-]",
"[H-]",
"[H-]",
"[Li+]",
"[Na+]",
"[OH-]"
]
}
|
NCCCCc1ccncc1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Consider that for a chemical reaction, if <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> is/are the reactants and reagents, what can be the product?",
"role": "user"
},
{
"content": "NCCCCc1ccncc1",
"role": "assistant"
}
] |
272 |
{
"selfies": [
"[O][=C][Branch1][C][O][C][=C][C][=C][N][=C][Ring1][=Branch1][Cl]",
"[C][C][C][O][C][Ring1][Branch1]",
"[O]",
"[Al+3]",
"[H-1]",
"[H-1]",
"[H-1]",
"[H-1]",
"[Li+1]",
"[Na+1]",
"[OH1-1]"
],
"smiles": [
"O=C(O)c1cccnc1Cl",
"C1CCOC1",
"O",
"[Al+3]",
"[H-]",
"[H-]",
"[H-]",
"[H-]",
"[Li+]",
"[Na+]",
"[OH-]"
]
}
|
OCc1cccnc1Cl
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Given the following reactants and reagents, please provide a possible product. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "OCc1cccnc1Cl",
"role": "assistant"
}
] |
273 |
{
"selfies": [
"[O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1]",
"[O][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F]",
"[C][C][C][O][C][Ring1][Branch1]",
"[O]",
"[H-1]",
"[Na+1]"
],
"smiles": [
"O=[N+]([O-])c1ccc(Cl)nc1",
"OC(C(F)(F)F)C(F)(F)F",
"C1CCOC1",
"O",
"[H-]",
"[Na+]"
]
}
|
O=[N+]([O-])c1ccc(OC(C(F)(F)F)C(F)(F)F)nc1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Please provide a feasible product that could be formed using these reactants and reagents: <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> .",
"role": "user"
},
{
"content": "O=[N+]([O-])c1ccc(OC(C(F)(F)F)C(F)(F)F)nc1",
"role": "assistant"
}
] |
274 |
{
"selfies": [
"[N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=N][Ring1][#Branch2]",
"[O][=C][Branch1][C][Cl][C][Branch1][C][Br][C][C][Br]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][N][Branch1][Ring1][C][C][C][C]",
"[Cl]"
],
"smiles": [
"Nc1cc(C(F)(F)F)ccn1",
"O=C(Cl)C(Br)CCBr",
"C1CCOC1",
"CCN(CC)CC",
"Cl"
]
}
|
O=C(Nc1cc(C(F)(F)F)ccn1)C(Br)CCBr
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Given the above reactants and reagents, what could be a probable product of their reaction?",
"role": "user"
},
{
"content": "O=C(Nc1cc(C(F)(F)F)ccn1)C(Br)CCBr",
"role": "assistant"
}
] |
275 |
{
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][Si][Branch1][C][C][Branch1][C][C][Cl]",
"[C][C][C][C][C][C][=C][C][C][=C][C][C][C][C][C][C][C][C][Branch1][C][O][C][C][=Branch1][C][=O][O][C]",
"[C][C][C][O][C][Ring1][Branch1]",
"[O][=N+1][Branch1][C][O-1][O-1]",
"[Ag+1]",
"[C][=C][C][=N][C][=C][Ring1][=Branch1]"
],
"smiles": [
"CC(C)(C)[Si](C)(C)Cl",
"CCCCCC=CCC=CCCCCCCCC(O)CC(=O)OC",
"C1CCOC1",
"O=[N+]([O-])[O-]",
"[Ag+]",
"c1ccncc1"
]
}
|
CCCCCC=CCC=CCCCCCCCC(CC(=O)OC)O[Si](C)(C)C(C)(C)C
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Based on the reactants and reagents given above, suggest a possible product.",
"role": "user"
},
{
"content": "CCCCCC=CCC=CCCCCCCCC(CC(=O)OC)O[Si](C)(C)C(C)(C)C",
"role": "assistant"
}
] |
276 |
{
"selfies": [
"[C][O][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][=C][Ring1][#Branch2][C][#C][Si][Branch1][C][C][Branch1][C][C][C]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][O]",
"[O]",
"[Na+1]",
"[OH1-1]"
],
"smiles": [
"CON(C)C(=O)c1ccc(C(F)(F)F)nc1C#C[Si](C)(C)C",
"C1CCOC1",
"CO",
"O",
"[Na+]",
"[OH-]"
]
}
|
C#Cc1nc(C(F)(F)F)ccc1C(=O)N(C)OC
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Using <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents, tell me the potential product.",
"role": "user"
},
{
"content": "C#Cc1nc(C(F)(F)F)ccc1C(=O)N(C)OC",
"role": "assistant"
}
] |
277 |
{
"selfies": [
"[C][=C][Branch1][C][C][C][=Branch1][C][=O][Cl]",
"[O][=C][Branch1][C][O][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][O]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][=C][C][=N][C][=C][Ring1][=Branch1]"
],
"smiles": [
"C=C(C)C(=O)Cl",
"O=C(O)CCCCCCCCCCCCCCCO",
"C1CCOC1",
"c1ccncc1"
]
}
|
C=C(C)C(=O)OCCCCCCCCCCCCCCCC(=O)O
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Using <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents, tell me the potential product.",
"role": "user"
},
{
"content": "C=C(C)C(=O)OCCCCCCCCCCCCCCCC(=O)O",
"role": "assistant"
}
] |
278 |
{
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][C][=N][C][=C][C][=C][Ring1][=Branch1][Cl]",
"[C][C][C][O][C][Ring1][Branch1]",
"[Al+3]",
"[H-1]",
"[H-1]",
"[H-1]",
"[H-1]",
"[Li+1]"
],
"smiles": [
"CCOC(=O)C(C)c1ncccc1Cl",
"C1CCOC1",
"[Al+3]",
"[H-]",
"[H-]",
"[H-]",
"[H-]",
"[Li+]"
]
}
|
CC(CO)c1ncccc1Cl
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Consider that for a chemical reaction, if <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> is/are the reactants and reagents, what can be the product?",
"role": "user"
},
{
"content": "CC(CO)c1ncccc1Cl",
"role": "assistant"
}
] |
279 |
{
"selfies": [
"[O][=C][Branch1][C][O][C][=C][C][=C][N][=C][Ring1][=Branch1][Cl]",
"[C][C][C][O][C][Ring1][Branch1]",
"[Al+3]",
"[H-1]",
"[H-1]",
"[H-1]",
"[H-1]",
"[Li+1]",
"[Na+1]",
"[OH1-1]"
],
"smiles": [
"O=C(O)c1cccnc1Cl",
"C1CCOC1",
"[Al+3]",
"[H-]",
"[H-]",
"[H-]",
"[H-]",
"[Li+]",
"[Na+]",
"[OH-]"
]
}
|
OCc1cccnc1Cl
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Given the above reactants and reagents, what could be a probable product of their reaction?",
"role": "user"
},
{
"content": "OCc1cccnc1Cl",
"role": "assistant"
}
] |
280 |
{
"selfies": [
"[C][O][C][=Branch1][C][=O][C][=C][N][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][O]",
"[Cl]",
"[O]",
"[Na+1]",
"[OH1-1]"
],
"smiles": [
"COC(=O)c1cnc(Cl)cc1Cl",
"C1CCOC1",
"CO",
"Cl",
"O",
"[Na+]",
"[OH-]"
]
}
|
O=C(O)c1cnc(Cl)cc1Cl
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Can you tell me the potential product of a chemical reaction that uses <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents?",
"role": "user"
},
{
"content": "O=C(O)c1cnc(Cl)cc1Cl",
"role": "assistant"
}
] |
281 |
{
"selfies": [
"[C][O][C][=Branch1][C][=O][C][=N][C][Branch1][=Branch1][C][Branch1][C][C][F][=C][C][Branch1][C][N][=C][Ring1][#Branch2][O][C]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][O]",
"[Cl]",
"[Na+1]",
"[OH1-1]"
],
"smiles": [
"COC(=O)c1nc(C(C)F)cc(N)c1OC",
"C1CCOC1",
"CO",
"Cl",
"[Na+]",
"[OH-]"
]
}
|
COc1c(N)cc(C(C)F)nc1C(=O)O
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Consider that for a chemical reaction, if <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> is/are the reactants and reagents, what can be the product?",
"role": "user"
},
{
"content": "COc1c(N)cc(C(C)F)nc1C(=O)O",
"role": "assistant"
}
] |
282 |
{
"selfies": [
"[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#Branch1][S][C][Branch1][C][C][C][=N][Ring1][#Branch2]",
"[C][C][C][O][C][Ring1][Branch1]",
"[O]",
"[BH4-1]",
"[Li+1]"
],
"smiles": [
"COC(=O)c1cccc(SC(C)C)n1",
"C1CCOC1",
"O",
"[BH4-]",
"[Li+]"
]
}
|
CC(C)Sc1cccc(CO)n1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Consider that for a chemical reaction, if <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> is/are the reactants and reagents, what can be the product?",
"role": "user"
},
{
"content": "CC(C)Sc1cccc(CO)n1",
"role": "assistant"
}
] |
283 |
{
"selfies": [
"[C][C][=Branch1][C][=O][Cl]",
"[N][C][C][=C][C][=C][Branch1][C][F][C][=N][Ring1][#Branch1]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][N][Branch1][Ring1][C][C][C][C]",
"[Cl]",
"[Cl]"
],
"smiles": [
"CC(=O)Cl",
"NCc1ccc(F)cn1",
"C1CCOC1",
"CCN(CC)CC",
"Cl",
"Cl"
]
}
|
CC(=O)NCc1ccc(F)cn1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "A chemical reaction has started with the substance(s) <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents, what could be a probable product?",
"role": "user"
},
{
"content": "CC(=O)NCc1ccc(F)cn1",
"role": "assistant"
}
] |
284 |
{
"selfies": [
"[C][O][C][=Branch1][C][=O][C][Branch1][C][C][C][N]",
"[C][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Branch1][C][Cl][=N][Ring1][#Branch2]",
"[C][C][C][O][C][Ring1][Branch1]",
"[O][=C][Branch1][C][O-1][O-1]",
"[K+1]",
"[K+1]"
],
"smiles": [
"COC(=O)C(C)CN",
"COc1ccc([N+](=O)[O-])c(Cl)n1",
"C1CCOC1",
"O=C([O-])[O-]",
"[K+]",
"[K+]"
]
}
|
COC(=O)C(C)CNc1nc(OC)ccc1[N+](=O)[O-]
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Please provide a feasible product that could be formed using these reactants and reagents: <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> .",
"role": "user"
},
{
"content": "COC(=O)C(C)CNc1nc(OC)ccc1[N+](=O)[O-]",
"role": "assistant"
}
] |
285 |
{
"selfies": [
"[C][O][C][=Branch1][C][=O][C][=N][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][O]",
"[Na+1]",
"[OH1-1]"
],
"smiles": [
"COC(=O)c1nc(Cl)ccc1C",
"C1CCOC1",
"CO",
"[Na+]",
"[OH-]"
]
}
|
Cc1ccc(Cl)nc1C(=O)O
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Propose a potential product given these reactants and reagents. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "Cc1ccc(Cl)nc1C(=O)O",
"role": "assistant"
}
] |
286 |
{
"selfies": [
"[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1]",
"[O][C][C][O][C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][Branch1][C][C][Branch1][C][C][O-1]",
"[O]",
"[Cl-1]",
"[K+1]",
"[Na+1]"
],
"smiles": [
"COC(=O)c1ccc(Cl)nc1",
"OCCOCC(F)(F)F",
"C1CCOC1",
"CC(C)(C)[O-]",
"O",
"[Cl-]",
"[K+]",
"[Na+]"
]
}
|
COC(=O)c1ccc(OCCOCC(F)(F)F)nc1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Can you tell me the potential product of a chemical reaction that uses <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents?",
"role": "user"
},
{
"content": "COC(=O)c1ccc(OCCOCC(F)(F)F)nc1",
"role": "assistant"
}
] |
287 |
{
"selfies": [
"[O][=C][Branch1][C][O][C][=C][C][Branch1][C][F][=C][Branch1][C][Cl][N][=C][Ring1][Branch2][Cl]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][S][C]"
],
"smiles": [
"O=C(O)c1cc(F)c(Cl)nc1Cl",
"C1CCOC1",
"CSC"
]
}
|
OCc1cc(F)c(Cl)nc1Cl
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Using <molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents, tell me the potential product.",
"role": "user"
},
{
"content": "OCc1cc(F)c(Cl)nc1Cl",
"role": "assistant"
}
] |
288 |
{
"selfies": [
"[C][C][=N][C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][O][C][Branch1][C][C][C]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][O][C][Branch1][C][C][=O]",
"[O]",
"[O]",
"[Li+1]",
"[OH1-1]"
],
"smiles": [
"Cc1nc(C(=O)[O-])ccc1OC(C)C",
"C1CCOC1",
"CCOC(C)=O",
"O",
"O",
"[Li+]",
"[OH-]"
]
}
|
Cc1nc(C(=O)O)ccc1OC(C)C
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Based on the reactants and reagents given above, suggest a possible product.",
"role": "user"
},
{
"content": "Cc1nc(C(=O)O)ccc1OC(C)C",
"role": "assistant"
}
] |
289 |
{
"selfies": [
"[C][C][=C][C][=C][Branch1][C][N][C][=N][Ring1][#Branch1]",
"[O][=C][Branch1][C][Cl][C][Cl]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][N][Branch1][Ring1][C][C][C][C]",
"[O]"
],
"smiles": [
"Cc1ccc(N)cn1",
"O=C(Cl)CCl",
"C1CCOC1",
"CCN(CC)CC",
"O"
]
}
|
Cc1ccc(NC(=O)CCl)cn1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Given the above reactants and reagents, what could be a probable product of their reaction?",
"role": "user"
},
{
"content": "Cc1ccc(NC(=O)CCl)cn1",
"role": "assistant"
}
] |
290 |
{
"selfies": [
"[C][O][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][C][C][C][F][=C][C][=N][Ring1][O]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][O]",
"[O]",
"[O]",
"[Li+1]",
"[OH1-1]"
],
"smiles": [
"COC(=O)c1cc(CCCCF)ccn1",
"C1CCOC1",
"CO",
"O",
"O",
"[Li+]",
"[OH-]"
]
}
|
O=C(O)c1cc(CCCCF)ccn1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Based on the reactants and reagents given above, suggest a possible product.",
"role": "user"
},
{
"content": "O=C(O)c1cc(CCCCF)ccn1",
"role": "assistant"
}
] |
291 |
{
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=C][Branch1][C][C][N][=C][Ring1][Branch2][Cl]",
"[C][C][C][O][C][Ring1][Branch1]",
"[O]",
"[Al+3]",
"[H-1]",
"[H-1]",
"[H-1]",
"[H-1]",
"[Li+1]",
"[Na+1]",
"[OH1-1]"
],
"smiles": [
"CCOC(=O)c1c(Cl)cc(C)nc1Cl",
"C1CCOC1",
"O",
"[Al+3]",
"[H-]",
"[H-]",
"[H-]",
"[H-]",
"[Li+]",
"[Na+]",
"[OH-]"
]
}
|
Cc1cc(Cl)c(CO)c(Cl)n1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Based on the given reactants and reagents: <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>, what product could potentially be produced?",
"role": "user"
},
{
"content": "Cc1cc(Cl)c(CO)c(Cl)n1",
"role": "assistant"
}
] |
292 |
{
"selfies": [
"[Cl][C][=C][C][=C][N][=C][Ring1][=Branch1][Cl]",
"[O][C][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][F]",
"[C][C][C][O][C][Ring1][Branch1]",
"[H-1]",
"[Na+1]"
],
"smiles": [
"Clc1cccnc1Cl",
"OCC(F)(F)C(F)F",
"C1CCOC1",
"[H-]",
"[Na+]"
]
}
|
FC(F)C(F)(F)COc1ncccc1Cl
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Consider that for a chemical reaction, if <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> is/are the reactants and reagents, what can be the product?",
"role": "user"
},
{
"content": "FC(F)C(F)(F)COc1ncccc1Cl",
"role": "assistant"
}
] |
293 |
{
"selfies": [
"[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][Cl]",
"[O][=C][Branch1][C][O][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][O]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][=C][C][=N][C][=C][Ring1][=Branch1]"
],
"smiles": [
"CCCCCCCCCCCCCCCC(=O)Cl",
"O=C(O)CCCCCCCCCCCCCCCO",
"C1CCOC1",
"c1ccncc1"
]
}
|
CCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC(=O)O
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Given the above reactants and reagents, what could be a probable product of their reaction?",
"role": "user"
},
{
"content": "CCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC(=O)O",
"role": "assistant"
}
] |
294 |
{
"selfies": [
"[N][#C][C][=C][C][=N][C][Branch1][Ring1][C][O][=C][Ring1][Branch2]",
"[C][C][C][O][C][Ring1][Branch1]",
"[O]",
"[Al+3]",
"[H-1]",
"[H-1]",
"[H-1]",
"[H-1]",
"[Li+1]",
"[Na+1]",
"[OH1-1]"
],
"smiles": [
"N#Cc1ccnc(CO)c1",
"C1CCOC1",
"O",
"[Al+3]",
"[H-]",
"[H-]",
"[H-]",
"[H-]",
"[Li+]",
"[Na+]",
"[OH-]"
]
}
|
NCc1ccnc(CO)c1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Please provide a feasible product that could be formed using these reactants and reagents: <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> .",
"role": "user"
},
{
"content": "NCc1ccnc(CO)c1",
"role": "assistant"
}
] |
295 |
{
"selfies": [
"[C][O][C][=Branch1][C][=O][C][=C][N][=C][Branch1][C][N][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][#Branch2]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][O]",
"[Pd]"
],
"smiles": [
"COC(=O)c1cnc(N)c([N+](=O)[O-])c1",
"C1CCOC1",
"CO",
"[Pd]"
]
}
|
COC(=O)c1cnc(N)c(N)c1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> Based on the reactants and reagents given above, suggest a possible product.",
"role": "user"
},
{
"content": "COC(=O)c1cnc(N)c(N)c1",
"role": "assistant"
}
] |
296 |
{
"selfies": [
"[O][=C][Branch1][C][O][C][=C][C][=N][C][Branch1][C][Cl][=C][Ring1][#Branch1]",
"[C][C][C][O][C][Ring1][Branch1]",
"[Cl]",
"[BH4-1]",
"[Na+1]"
],
"smiles": [
"O=C(O)c1ccnc(Cl)c1",
"C1CCOC1",
"Cl",
"[BH4-]",
"[Na+]"
]
}
|
OCc1ccnc(Cl)c1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "A chemical reaction has started with the substance(s) <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> as the reactants and reagents, what could be a probable product?",
"role": "user"
},
{
"content": "OCc1ccnc(Cl)c1",
"role": "assistant"
}
] |
297 |
{
"selfies": [
"[C][N][Branch1][C][C][C][C][O]",
"[N][#C][C][=C][C][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][N][Branch1][C][C][C][=O]",
"[H-1]",
"[Na+1]"
],
"smiles": [
"CN(C)CCO",
"N#Cc1ccc(Cl)nc1",
"C1CCOC1",
"CN(C)C=O",
"[H-]",
"[Na+]"
]
}
|
CN(C)CCOc1ccc(C#N)cn1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Given the following reactants and reagents, please provide a possible product. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "CN(C)CCOc1ccc(C#N)cn1",
"role": "assistant"
}
] |
298 |
{
"selfies": [
"[C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][O][C]",
"[C][C][C][O][C][Ring1][Branch1]",
"[O][=C][Branch1][C][O-1][C][Branch1][C][O][C][Branch1][C][O][C][=Branch1][C][=O][O-1]",
"[Al+3]",
"[H-1]",
"[H-1]",
"[H-1]",
"[H-1]",
"[K+1]",
"[Li+1]",
"[Na+1]"
],
"smiles": [
"COC(=O)c1cccnc1OC",
"C1CCOC1",
"O=C([O-])C(O)C(O)C(=O)[O-]",
"[Al+3]",
"[H-]",
"[H-]",
"[H-]",
"[H-]",
"[K+]",
"[Li+]",
"[Na+]"
]
}
|
COc1ncccc1CO
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Given the following reactants and reagents, please provide a possible product. <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>",
"role": "user"
},
{
"content": "COc1ncccc1CO",
"role": "assistant"
}
] |
299 |
{
"selfies": [
"[C][N][C][C][C][N][Branch1][C][C][C]",
"[O][=C][Branch1][C][O][C][=C][N][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][N][Branch1][Ring1][C][C][C][C]",
"[O]",
"[O][=S][Branch1][C][Cl][Cl]"
],
"smiles": [
"CNCCCN(C)C",
"O=C(O)c1cnc(Cl)c(Cl)c1",
"C1CCOC1",
"CCN(CC)CC",
"O",
"O=S(Cl)Cl"
]
}
|
CN(C)CCCN(C)C(=O)c1cnc(Cl)c(Cl)c1
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the product molecule. We provide the SMILES of the reactants.",
"role": "system"
},
{
"content": "Consider that for a chemical reaction, if <molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d>.<molecule_2d> is/are the reactants and reagents, what can be the product?",
"role": "user"
},
{
"content": "CN(C)CCCN(C)C(=O)c1cnc(Cl)c(Cl)c1",
"role": "assistant"
}
] |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.