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lukaskim
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MappedCRD

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original_rsmi
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17
1.12k
mapped_rxn
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72
3.56k
its_graphies
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3
1.95k
C1(=CC=C(C=C1)OC)Br.C1(=CC=C(C=C1)OC)O[H]>[Cu]I.CN(C)CC(=O)O.C1(=CC=CC=C1)C.P(=O)([O-])([O-])[O-].[K+].[K+].[K+]>C1(=CC=C(C=C1)OC)OC2=CC=C(C=C2)OC
[Cu:6][I:13].[K+:10].[K+:8].[K+:9].[N:7]([CH2:17][C:18]([OH:14])=[O:38])([CH3:29])[CH3:30].[O-:20][P:28]([O-:21])([O-:22])=[O:33].[OH:2][C:19]1=[CH:31][CH:4]=[C:23]([O:39][CH3:36])[CH:5]=[CH:32]1.[C:1]1([CH3:3])=[CH:11][CH:15]=[CH:27][CH:16]=[CH:12]1.[C:24]1([O:40][CH3:37])=[CH:41][CH:34]=[C:25]([Br:26])[CH:35]=[CH:42]...
[CH1][=CH1][-C][=Fork2][1][4][=CH1][-CH1][=C][-Link1][4][-OH1][0-C][-0Fork1][0][-0Br][=CH1][-CH1][=C][-Fork1][1][-O][-CH3][-CH1][=CH1][-Link1][7][-O][-CH3]
C1(=CC=C(C=C1C[P](=O)(OCC)OCC)[S](F)(F)(F)(F)F)[N+](=O)[O-].C1(=CC=CC=C1)C=O>N(C)(C)C=O.CC(C)(C)[O-].[K+]>C1(=CC=C(C=C1C=CC2=CC=CC=C2)[S](F)(F)(F)(F)F)[N+](=O)[O-]
[CH3:10][N:36]([CH3:11])[CH:34]=[O:39].[CH3:4][C:7]([CH3:5])([CH3:6])[O-:15].[K+:14].[O:8]=[CH:12][C:9]1=[CH:32][CH:29]=[CH:22][CH:30]=[CH:33]1.[S:1]([C:23]1=[CH:19][CH:40]=[C:31]([N+:2]([O-:3])=[O:16])[C:20]([CH2:43][P:21](=[O:13])([O:37][CH2:17][CH3:41])[O:38][CH2:18][CH3:42])=[CH:35]1)([F:24])([F:25])([F:26])([F:27]...
[O][=0CH1][-Fork1][7][-C][=CH1][-CH1][=CH1][-CH1][=CH1][-Link1][4][0=CH2][-Fork2][1][e][-C][-C][-Fork1][4][-N+1][-Fork1][0][-O-1][=O][=CH1][-CH1][=C][-Fork1][d][-S][-Fork1][0][-F][-Fork1][0][-F][-Fork1][0][-F][-Fork1][0][-F][-F][-CH1][=Link1][d][-0P][=Fork1][0][=O][-Fork1][2][-O][-CH2][-CH3][-O][-CH2][-CH3]
C13=C(C=CC=C1C(C2=NC(=NC(=N2)OC)OC)C(N3[S](C(F)F)(=O)=O)=O)F.C1=CC=NC(=C1)C(=O)O[H]>CC#N.O(O[H])[H].O.O.O.O.O.O.O.S(=O)(=O)([O-])[O-].[Fe+2].C([O-])(O)=O.[K+].O>C1(=C(C=CC=C1C(C2=NC(=NC(=N2)OC)OC)=O)F)N([H])[S](C(F)F)(=O)=O
[F:1][C:51]1=[C:46]2[N:10]([S:26](=[O:2])(=[O:3])[CH:4]([F:20])[F:21])[C:59](=[O:45])[CH:47]([C:5]3=[N:28][C:9]([O:13][CH3:19])=[N:40][C:8]([O:12][CH3:18])=[N:29]3)[C:56]2=[CH:52][CH:54]=[CH:50]1.[Fe+2:60].[K+:17].[N:16]#[C:57][CH3:58].[O-:38][S:55]([O-:39])(=[O:42])=[O:43].[O:14]=[C:27]([O-:24])[OH:44].[OH2:30].[OH2:3...
[F][-C][=C][-N][-Fork1][b][-S][=Fork1][0][=O][=Fork1][0][=O][-CH1][-Fork1][0][-F][-F][-0C][=0O][0=CH1][-Fork1][f][-C][=N][-C][-Fork1][1][-O][-CH3][=N][-C][-Fork1][1][-O][-CH3][=N][-Link1][8][-0Link1][1][-C][-Link2][1][4][=CH1][-CH1][=CH1][-Link2][1][8]
CCCCCCCCCCCCCCCC(=O)Cl>C1=CC(N(C=C1)O[Na])=S.C(Cl)(Cl)(Cl)[H].C1(=CC=NC=C1)N(C)C>CCCCCCCCCCCCCCC
[CH2:3]([CH2:36][CH2:35][CH2:34][CH2:33][CH2:32][CH2:31][CH2:30][CH2:29][CH2:37][CH2:16][CH2:26][C:28]([Cl:11])=[O:15])[CH2:40][CH2:17][CH3:5].[CH:2]([Cl:20])([Cl:21])[Cl:22].[N:6]([CH3:13])([CH3:14])[C:24]1=[CH:8][CH:38]=[N:25][CH:39]=[CH:9]1.[C:1]1(=[S:19])[N:4]([O:18][Na:23])[CH:27]=[CH:7][CH:10]=[CH:12]1>>[CH2:3]([...
[CH2][-Fork1][a][-CH2][-CH2][-CH2][-CH2][-CH2][-CH2][-0C][-Fork1][0][-Cl][=O][-CH2][-CH2][-CH2][-CH2][-CH2][-CH2][-CH2][-CH3]
C1(=CC(=CC(=C1[Mg]Br)C)C)C.C1CCC(CC1)(C(F)(F)F)N=C=O>C(C)OCC>CC1=C(C(=O)NC2(CCCCC2)C(F)(F)F)C(=CC(=C1)C)C
[C:1](=[N:7][C:13]1([C:16]([F:18])([F:19])[F:20])[CH2:2][CH2:5][CH2:8][CH2:6][CH2:3]1)=[O:29].[CH2:14]([O:26][CH2:15][CH3:28])[CH3:27].[C:4]1([CH3:23])=[CH:9][C:21]([CH3:24])=[C:11]([Mg:17][Br:12])[C:22]([CH3:25])=[CH:10]1>>[C:1]([NH:7][C:13]1([C:16]([F:18])([F:19])[F:20])[CH2:2][CH2:5][CH2:8][CH2:6][CH2:3]1)([C:11]1=[...
[C][=-Fork2][1][2][=-N][-C][-Fork1][6][-CH2][-CH2][-CH2][-CH2][-CH2][-Link1][4][-C][-Fork1][0][-F][-Fork1][0][-F][-F][0-Fork2][1][2][0-C][-0Fork1][1][-0Mg][-Br][=C][-Fork1][9][-CH1][=C][-Fork1][4][-CH1][=C][-Link1][6][-CH3][-CH3][-CH3][=O]
C1(=CC=C(C(=C1)C(=O)O[H])I)O[H]>S(O)(O)(=O)=O.CO[H]>C1(=CC=C(C(=C1)C(=O)OC)I)O[H]
[O:1]=[S:11](=[O:2])([OH:9])[OH:10].[OH:5][CH3:13].[CH:3]1=[CH:14][C:17]([OH:6])=[CH:15][C:16]([C:12]([OH:4])=[O:7])=[C:18]1[I:8]>>[CH:3]1=[CH:14][C:17]([OH:6])=[CH:15][C:16]([C:12]([O:5][CH3:13])=[O:7])=[C:18]1[I:8]
[OH1][0-Fork2][1][2][0-C][-0Fork1][0][-0OH1][=Fork1][0][=O][-C][-CH1][=C][-Fork1][0][-OH1][-CH1][=CH1][-C][=Link1][5][-I][-CH3]
C1(=CC=C(C(=C1)C(=O)OC)I)O[Si](C(C)C)(C(C)C)C(C)C.C=C[Mg]Br>C1CCCO1.[Br-].[Zn+2].[Br-].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-].[Cl-].[Pd+2]>C(C)(C)[Si](OC=1C=CC(=C(C(=O)OC)C1)C=C)(C(C)C)C(C)C
[Br-:45].[Br-:46].[CH2:2]=[CH:64][Mg:57][Br:30].[Cl-:68].[Cl-:69].[O:1]([Si:70]([CH:65]([CH3:17])[CH3:18])([CH:66]([CH3:19])[CH3:20])[CH:67]([CH3:21])[CH3:22])[C:73]1=[CH:23][CH:49]=[C:16]([I:44])[C:62]([C:15]([O:43][CH3:48])=[O:56])=[CH:47]1.[O:61]1[CH2:74][CH2:72][CH2:71][CH2:75]1.[Pd+2:58].[Zn+2:63].[CH:3]1=[C:24]([...
[O][-Fork2][1][3][-Si][-Fork1][4][-CH1][-Fork1][0][-CH3][-CH3][-Fork1][4][-CH1][-Fork1][0][-CH3][-CH3][-CH1][-Fork1][0][-CH3][-CH3][-C][=CH1][-CH1][=C][-0Fork1][0][-0I][-Fork1][b][-C][-Fork1][5][-C][-Fork1][1][-O][-CH3][=O][=CH1][-Link1][9][0-CH1][=Fork1][0][=CH2][-0Mg][-Br]
C(C)(C)[Si](OC=1C=CC(=C(C(=O)OC)C1)C=C)(C(C)C)C(C)C>C1(=CC=CC=C1)C.CC(C)C[AlH]CC(C)C>C(C)(C)[Si](OC=1C=CC(=C(C1)CO)C=C)(C(C)C)C(C)C
[CH:5]([CH3:7])([CH3:8])[CH2:32][AlH:20][CH2:33][CH:6]([CH3:9])[CH3:10].[O:1]([Si:38]([CH:35]([CH3:14])[CH3:15])([CH:36]([CH3:16])[CH3:17])[CH:37]([CH3:18])[CH3:19])[C:39]1=[CH:12][C:11]([C:26]([O:27][CH3:28])=[O:31])=[C:23]([CH:30]=[CH2:13])[CH:3]=[CH:34]1.[C:2]1([CH3:4])=[CH:21][CH:24]=[CH:29][CH:25]=[CH:22]1>>[O:1](...
[O][-Fork2][1][3][-Si][-Fork1][4][-CH1][-Fork1][0][-CH3][-CH3][-Fork1][4][-CH1][-Fork1][0][-CH3][-CH3][-CH1][-Fork1][0][-CH3][-CH3][-C][=CH1][-C][=Fork1][8][=C][-Fork1][3][-CH1][=CH1][-Link1][4][-CH1][=CH2][-C][-Fork1][1][-O][-0CH3][=0O]
C(C)(C)[Si](OC=1C=CC(=C(C1)CO)C=C)(C(C)C)C(C)C>BrBr.c3c(P(c1ccccc1)c2ccccc2)cccc3.c1cnc[nH]1.ClCCl>C1(=CC=C(C(=C1)CBr)C=C)O[Si](C(C)C)(C(C)C)C(C)C
[Br:42][Br:43].[CH2:13]([Cl:23])[Cl:24].[O:1]([C:11]1=[CH:40][CH:9]=[C:50]([CH:32]=[CH2:12])[C:38]([CH2:33][OH:41])=[CH:48]1)[Si:47]([CH:44]([CH3:14])[CH3:15])([CH:45]([CH3:16])[CH3:17])[CH:46]([CH3:18])[CH3:19].[CH:2]1=[C:20]([P:39]([C:21]2=[CH:3][CH:26]=[CH:36][CH:27]=[CH:4]2)[C:22]2=[CH:5][CH:28]=[CH:37][CH:29]=[CH:...
[O][-Fork2][1][3][-C][=CH1][-CH1][=C][-Fork1][1][-CH1][=CH2][-C][-Fork1][5][-CH2][-0Fork1][0][-0OH1][0-Br][-0Br][=CH1][-Link1][a][-Si][-Fork1][4][-CH1][-Fork1][0][-CH3][-CH3][-Fork1][4][-CH1][-Fork1][0][-CH3][-CH3][-CH1][-Fork1][0][-CH3][-CH3]
C1=C(C=CC2=C1C=CC2[S](C3=CC=C(C=C3)C)(=O)=O)C#N.C(CCCCl)(Cl)=O>ClCCl.[Al](Cl)(Cl)Cl>C1=C(C=CC2=C1C(=CC2[S](C3=CC=C(C=C3)C)(=O)=O)C(CCCCl)=O)C#N
[CH2:4]([CH2:16][CH2:8][Cl:15])[C:23]([Cl:6])=[O:14].[CH2:5]([Cl:9])[Cl:10].[CH:1]1([S:24](=[O:25])(=[O:26])[C:35]2=[CH:31][CH:12]=[C:29]([CH3:3])[CH:13]=[CH:32]2)[C:20]2=[CH:28][CH:11]=[C:27]([C:21]#[N:2])[CH:33]=[C:22]2[CH:7]=[CH:30]1.[Cl:17][Al:34]([Cl:18])[Cl:19]>>[CH:1]1([S:24](=[O:25])(=[O:26])[C:35]2=[CH:31][CH:...
[CH2][-Fork1][2][-CH2][-CH2][-Cl][-C][-0Fork1][0][-0Cl][0-Fork2][2][9][0-CH1][-C][-C][-Fork2][1][8][-CH1][-Fork2][1][1][-S][=Fork1][0][=O][=Fork1][0][=O][-C][=CH1][-CH1][=C][-Fork1][0][-CH3][-CH1][=CH1][-Link1][5][-CH1][=Link1][d][=CH1][-CH1][=C][-Fork1][1][-C][#N][-CH1][=Link2][1][2][=O]
C1(C(CCCC1)Cl)=O.C1CCNC1>C1CCCCC1>C1(=CCCCC1Cl)N2CCCC2
[CH2:1]1[CH2:2][CH2:15][NH:16][CH2:14]1.[CH2:7]1[CH2:8][CH2:9][CH2:10][CH2:11][CH2:12]1.[Cl:3][CH:6]1[CH2:17][CH2:18][CH2:13][CH2:5][C:19]1=[O:4]>>[CH2:1]1[CH2:2][CH2:15][N:16]([C:19]2=[CH:5][CH2:13][CH2:18][CH2:17][CH:6]2[Cl:3])[CH2:14]1
[CH2][-CH2][-CH2][-NH1][-Fork1][2][-CH2][-Link1][3][0-C][=0Fork1][0][=0O][-=CH2][-CH2][-CH2][-CH2][-CH1][-Link1][5][-Cl]
C1(=CC=C(C=C1C=CC(=O)OC)OC)OC.[N-]=[N+]=C>C(C)OCC.ClCCl.[Pd+2].[O-]C(=O)C.[O-]C(=O)C>C1(=CC=C(C=C1C2C(C2)C(=O)OC)OC)OC
[CH2:14]([O:28][CH2:15][CH3:32])[CH3:31].[CH2:7]([Cl:10])[Cl:11].[N+:25](=[CH2:27])=[N-:36].[O-:1][C:23]([CH3:8])=[O:29].[O-:2][C:24]([CH3:9])=[O:30].[Pd+2:26].[C:3]1([O:17][CH3:33])=[CH:4][CH:22]=[C:6]([O:35][CH3:34])[CH:20]=[C:18]1[CH:12]=[CH:19][C:21]([O:5][CH3:13])=[O:16]>>[C:3]1([O:17][CH3:33])=[CH:4][CH:22]=[C:6]...
[N+1][=0Fork2][1][c][=0CH2][0-CH1][-Fork1][f][-C][-C][=Fork1][9][=CH1][-CH1][=C][-Fork1][2][-CH1][=Link1][4][-O][-CH3][-O][-CH3][=-CH1][0-Link1][b][-C][-Fork1][1][-O][-CH3][=O][=N-1]
C1=CC(=CC=C1CC(=O)O[H])Cl>C1(=CC=CC=C1)C.N(C)(C)C=O.ClS(Cl)=O>C1=CC(=CC=C1CC(=O)Cl)Cl
[CH3:8][N:23]([CH3:9])[CH:19]=[O:27].[Cl:5][S:14]([Cl:6])=[O:17].[C:1]1([CH3:4])=[CH:10][CH:12]=[CH:16][CH:13]=[CH:11]1.[CH:2]1=[C:18]([CH2:15][C:21]([OH:7])=[O:20])[CH:3]=[CH:26][C:22]([Cl:24])=[CH:25]1>>[CH:2]1=[C:18]([CH2:15][C:21]([Cl:5])=[O:20])[CH:3]=[CH:26][C:22]([Cl:24])=[CH:25]1
[Cl][-0Fork1][4][-0S][-Fork1][0][-Cl][=O][0-C][-0Fork1][0][-0OH1][-Fork1][b][-CH2][-C][=CH1][-CH1][=C][-Fork1][0][-Cl][-CH1][=CH1][-Link1][5][=O]
C1=CC(=CC=C1CC(=O)Cl)Cl.CN>C1(=CC=CC=C1)C.O>C1=CC(=CC=C1CC(=O)N(C)[H])Cl
[NH2:6][CH3:15].[OH2:12].[C:1]1([CH3:4])=[CH:8][CH:10]=[CH:14][CH:11]=[CH:9]1.[CH:2]1=[C:16]([CH2:7][C:17](=[O:5])[Cl:13])[CH:3]=[CH:21][C:18]([Cl:19])=[CH:20]1>>[CH:2]1=[C:16]([CH2:7][C:17](=[O:5])[NH:6][CH3:15])[CH:3]=[CH:21][C:18]([Cl:19])=[CH:20]1
[NH2][-Fork1][0][-CH3][0-C][=Fork1][0][=O][-Fork1][b][-CH2][-C][=CH1][-CH1][=C][-Fork1][0][-Cl][-CH1][=CH1][-Link1][5][-0Cl]
C1=CC(=CC=C1CC(=O)N(C)[H])Cl>C=O>C1=CC(=CC2=C1CC(=O)N(C2)C)Cl
[O:6]=[CH2:14].[CH:1]1=[C:4]([CH2:3][C:5]([NH:7][CH3:13])=[O:8])[CH:2]=[CH:12][C:9]([Cl:10])=[CH:11]1>>[C:1]12=[CH:11][C:9]([Cl:10])=[CH:12][CH:2]=[C:4]1[CH2:3][C:5](=[O:8])[N:7]([CH3:13])[CH2:14]2
[O][=0CH2][0-CH1][=-C][-=Fork1][8][-=CH1][=-CH1][-=C][-Fork1][0][-Cl][=-CH1][-=Link1][5][-CH2][-C][-Fork1][3][-NH1][0-Link1][9][-CH3][=O]
C1(=CC=C(C=C1)C(=O)OC)C#N.C(/C)([H])=N/O[H]>C1(=CC=CC=C1)C.[Cl-].C1(=CC=CC=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1(=CC=CC=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1(=CC=CC=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.[Rh+]>C1(=CC=C(C=C1)C(=O)OC)C(=O)N([H])[H]
[Cl-:80].[N:3]#[C:82][C:38]1=[CH:76][CH:78]=[C:72]([C:58](=[O:24])[O:59][CH3:60])[CH:79]=[CH:77]1.[OH:2][N:23]=[CH:71][CH3:81].[Rh+:57].[C:1]1([CH3:4])=[CH:25][CH:36]=[CH:61][CH:37]=[CH:26]1.[CH:11]1=[C:30]([P:74]([C:31]2=[CH:12][CH:46]=[CH:66][CH:47]=[CH:13]2)[C:32]2=[CH:14][CH:48]=[CH:67][CH:49]=[CH:15]2)[CH:16]=[CH:...
[OH1][-0Fork1][2][-0N][=CH1][-CH3][0=C][#-Fork1][0][#-N][-C][=CH1][-CH1][=C][-Fork1][5][-C][=Fork1][0][=O][-O][-CH3][-CH1][=CH1][-Link1][8]
C1=C(C(=CC=C1)Br)Br.C(=CC(O[H])=O)(C)C>ClCCl.[Al](Cl)(Cl)Cl>C1=C(C(=CC=C1C(CC(=O)O[H])(C)C)Br)Br
[CH2:8]([Cl:9])[Cl:10].[CH:3]([C:20]([OH:11])=[O:12])=[C:22]([CH3:18])[CH3:19].[Cl:13][Al:21]([Cl:14])[Cl:15].[CH:1]1=[CH:2][CH:16]=[C:6]([Br:4])[C:7]([Br:5])=[CH:17]1>>[C:1]1([C:22]([CH2:3][C:20]([OH:11])=[O:12])([CH3:18])[CH3:19])=[CH:2][CH:16]=[C:6]([Br:4])[C:7]([Br:5])=[CH:17]1
[CH1][-Fork1][4][-C][-Fork1][0][-OH1][=O][=-C][0-Fork1][d][0-CH1][=CH1][-CH1][=C][-Fork1][0][-Br][-C][-Fork1][0][-Br][=CH1][-Link1][6][-Fork1][0][-CH3][-CH3]
C1=C(C(=CC=C1C(CC(=O)O[H])(C)C)Br)Br.C(=O)(C(F)(F)F)OC(=O)C(F)(F)F>C1(=CC=CC=C1)C.c1ccncc1>C1=C(C(=CC=C1C(CC(=O)C(F)(F)F)(C)C)Br)Br
[O:3]([C:19](=[O:9])[C:30]([F:37])([F:38])[F:39])[C:20](=[O:10])[C:29]([F:34])([F:35])[F:36].[O:4]=[C:23]([CH2:11][C:40]([CH3:14])([CH3:15])[C:28]1=[CH:33][C:5]([Br:18])=[C:8]([Br:7])[CH:27]=[CH:41]1)[OH:21].[C:1]1([CH3:2])=[CH:12][CH:16]=[CH:22][CH:17]=[CH:13]1.[N:6]1=[CH:25][CH:31]=[CH:24][CH:32]=[CH:26]1>>[O:4]=[C:2...
[O][-Fork1][b][-C][=Fork1][0][=O][-C][-Fork1][0][-F][-Fork1][0][-F][-F][-C][=Fork1][0][=O][-0C][0-Fork2][1][d][0-C][=Fork1][0][=O][-Fork2][1][5][-CH2][-C][-Fork1][0][-CH3][-Fork1][0][-CH3][-C][=CH1][-C][=Fork1][7][=C][-Fork1][0][-Br][-CH1][=CH1][-Link1][5][-Br][-0OH1][-Fork1][0][-F][-Fork1][0][-F][-F]
C1(=C(C=CC=C1)Br)O[H]>C1CCCO1.C=O.CCN(CC)CC>C1(=C(C=CC=C1C(=O)[H])Br)O[H]
[CH2:2]([N:13]([CH2:3][CH3:17])[CH2:4][CH3:18])[CH3:16].[O:8]1[CH2:21][CH2:12][CH2:11][CH2:22]1.[O:9]=[CH2:20].[CH:1]1=[CH:5][CH:19]=[C:14]([OH:10])[C:6]([Br:15])=[CH:7]1>>[CH:1]1=[CH:5][C:19]([CH:20]=[O:9])=[C:14]([OH:10])[C:6]([Br:15])=[CH:7]1
[CH1][=CH1][-CH1][=Fork1][a][=C][-Fork1][6][-C][=Fork1][2][=CH1][-Link1][4][-Br][-OH1][0-CH2][=O]
C1=CC=CC(=C1C(=O)[H])[N+](=O)[O-]>O.[Fe].CCO[H].Cl>C1=CC=CC(=C1C(=O)[H])N([H])[H]
[ClH:17].[Fe:9].[OH2:12].[OH:4][CH2:10][CH3:8].[CH:1]1=[CH:6][CH:5]=[C:14]([CH:16]=[O:11])[C:2]([N+:15]([O-:3])=[O:7])=[CH:13]1>>[CH:1]1=[CH:6][CH:5]=[C:14]([CH:16]=[O:11])[C:2]([NH2:15])=[CH:13]1
[CH1][=CH1][-CH1][=C][-Fork1][a][-C][=Fork1][2][=CH1][-Link1][4][-N+1][-0Fork1][0][-0O-1][=0O][-CH1][=O]
C1(C(CCCC1)CC=C)=O>CO[H].c1ccncc1.[N+](O[H])([H])([H])[H].[Cl-]>C/1(C(CCCC1)CC=C)=N/O[H]
[C:1]1(=[O:19])[CH:12]([CH2:2][CH:5]=[CH2:6])[CH2:4][CH2:9][CH2:11][CH2:15]1.[Cl-:17].[OH:7][CH3:18].[OH:8][NH3+:16].[N:3]1=[CH:13][CH:20]=[CH:10][CH:21]=[CH:14]1>>[C:1]1(=[N:16][OH:8])[CH:12]([CH2:2][CH:5]=[CH2:6])[CH2:4][CH2:9][CH2:11][CH2:15]1
[C][-Fork1][b][-CH1][-Fork1][2][-CH2][-CH1][=CH2][-CH2][-CH2][-CH2][-CH2][-Link1][7][0=Fork1][1][0=NH3+1][-OH1][=0O]
C/1(C(CCCC1)CC=C)=N/O[H].[Na]>OC(C)CC(C)C.O(C(C)(C)C)C.CC1=CC=C(C)C=C1>C1([C@@H](CCCC1)CC=C)N([H])[H].C1([C@H](CCCC1)CC=C)N([H])[H]
[CH2:5]([CH:14]([CH3:27])[CH3:28])[CH:16]([CH3:6])[OH:22].[CH3:1][C:26]1=[CH:19][CH:17]=[C:25]([CH3:2])[CH:18]=[CH:20]1.[CH:10](=[CH2:11])[CH2:30][CH:29]1[CH2:12][CH2:21][CH2:23][CH2:31][C:13]1=[N:15][OH:24].[Na:33].[O:3]([C:4]([CH3:7])([CH3:8])[CH3:9])[CH3:32]>>[CH2:5]([CH:14]1[CH2:27][CH2:17][CH2:25][CH2:18][CH:28]1[...
[CH2][-Fork2][1][4][-CH1][-CH3][0-CH1][-0CH1][=C][-Fork1][0][-CH3][-0CH1][=0CH1][-Fork1][3][-C][=-Link1][5][-0CH3][0-CH3][0-Link1][3][-Link1][9][-CH1][-=Fork1][0][-=CH3][-0OH1]
NC1=C(C=CC=C1)C(C)=O>O.CCO[H].[N+](O[H])([H])([H])[H].[Cl-].[OH-].[Na+]>NC1=C(C=CC=C1)/C(/C)=N/O
[C:2](=[O:5])([CH3:8])[C:17]1=[CH:15][CH:10]=[CH:13][CH:4]=[C:19]1[NH2:18].[Cl-:16].[Na+:7].[OH-:12].[OH2:9].[OH:11][NH3+:14].[OH:1][CH2:6][CH3:3]>>[C:2]([CH3:8])(=[N:14][OH:11])[C:17]1=[CH:15][CH:10]=[CH:13][CH:4]=[C:19]1[NH2:18]
[C][=0Fork1][0][=0O][-Fork1][0][-CH3][0=Fork1][1][0=NH3+1][-OH1][-C][=CH1][-CH1][=CH1][-CH1][=C][-Link1][4][-NH2]
NC1=C(C=CC=C1)/C(/C)=N/O>ClCCl.CCN(CC)CC.CS(=O)(=O)Cl>CC1=NNC2=CC=CC=C12
[CH2:3]([N:20]([CH2:4][CH3:24])[CH2:5][CH3:25])[CH3:23].[CH2:6]([Cl:9])[Cl:10].[O:1]=[S:19](=[O:2])([CH3:18])[Cl:26].[OH:7][N:12]=[C:21]([CH3:11])[C:14]1=[C:8]([NH2:22])[CH:13]=[CH:16][CH:15]=[CH:17]1>>[C:8]12=[CH:13][CH:16]=[CH:15][CH:17]=[C:14]1[C:21]([CH3:11])=[N:12][NH:22]2
[OH1][-0N][=C][-Fork1][0][-CH3][-C][=-C][-=Fork1][5][-=CH1][=-CH1][-=CH1][=-CH1][-=Link1][4][-NH2][0-Link1][8]
C1(=CC=CC=C1)C=O.C1CCNC1>CC#N.C(C)(C)(C)OO.CCCCCCCCCC>C(C1=CC=CC=C1)(=O)N1CCCC1
[CH2:1]([CH2:19][CH2:20][CH2:2][CH2:32][CH2:15][CH3:9])[CH2:31][CH2:14][CH3:8].[CH2:5]1[CH2:6][CH2:27][NH:28][CH2:26]1.[CH3:11][C:18]([CH3:12])([CH3:13])[O:16][OH:21].[N:4]#[C:29][CH3:30].[O:3]=[CH:10][C:7]1=[CH:24][CH:22]=[CH:17][CH:23]=[CH:25]1>>[O:3]=[C:10]([C:7]1=[CH:24][CH:22]=[CH:17][CH:23]=[CH:25]1)[N:28]1[CH2:2...
[O][=CH1][-Fork1][7][-C][=CH1][-CH1][=CH1][-CH1][=CH1][-Link1][4][0-NH1][-CH2][-CH2][-CH2][-CH2][-Link1][3]
S1C(=CC=C1)C=O>CO[H].C([O-])([O-])=O.[K+].[K+].C1(=CC=C(C=C1)S(=O)(=O)C[N+]#[C-])C>S1C(=CC=C1)C1=CN=CO1
[CH3:1][C:24]1=[CH:13][CH:7]=[C:20]([S:11]([CH2:10][N+:25]#[C-:18])(=[O:26])=[O:27])[CH:8]=[CH:14]1.[K+:5].[K+:6].[O:3]=[C:17]([O-:15])[O-:16].[OH:12][CH3:23].[CH:2]1=[C:9]([CH:22]=[O:4])[S:28][CH:21]=[CH:19]1>>[CH:2]1=[C:9]([C:22]2=[CH:10][N:25]=[CH:18][O:4]2)[S:28][CH:21]=[CH:19]1
[CH3][-C][=CH1][-CH1][=C][-Fork1][3][-CH1][=CH1][-Link1][4][-S][-0Fork1][f][-0CH2][0=CH1][=-Fork1][4][=-O][0-C-1][#=N+1][-Link1][3][-C][=CH1][-CH1][=CH1][-S][-Link1][3][=Fork1][0][=O][=O]
S1C(=CC=C1)C1=CN=CO1>N(C)(C)C=O.C1CCCO1.C[Si](C)(C)[N-][Si](C)(C)C.[Li+].BrN1C(CCC1=O)=O>BrC=1N=COC1C=1SC=CC1
[CH3:10][Si:23]([CH3:11])([CH3:12])[N-:16][Si:24]([CH3:13])([CH3:14])[CH3:15].[CH3:5][N:34]([CH3:6])[CH:26]=[O:36].[Li+:20].[O:25]1[CH2:37][CH2:33][CH2:32][CH2:38]1.[O:3]=[C:8]1[N:17]([Br:7])[C:9](=[O:4])[CH2:31][CH2:30]1.[CH:1]1=[C:2]([C:29]2=[CH:19][CH:21]=[CH:22][S:18]2)[O:28][CH:27]=[N:35]1>>[C:1]1([Br:7])=[C:2]([C...
[CH1][=Fork1][e][=C][-Fork1][4][-O][-CH1][=N][-Link1][3][-C][-S][-CH1][=CH1][-CH1][=Link1][3][0-Br][-0N][-C][=Fork1][0][=O][-CH2][-CH2][-C][-Link1][4][=O]
C(C#CCCCCC)(=O)OC.C1(=CC=CC=C1)B(O)O>CO[H].C(C)(=O)[O-].[Cu+2].C(C)(=O)[O-]>C1(=CC=CC=C1)/C(=C/C(=O)OC)/CCCCC
[Cu+2:27].[O-:2][C:23]([CH3:15])=[O:28].[O-:3][C:24]([CH3:16])=[O:29].[O:4]([CH3:22])[C:30](=[O:6])[C:21]#[C:5][CH2:10][CH2:18][CH2:11][CH2:19][CH3:12].[OH:17][CH3:31].[C:1]1([B:9]([OH:7])[OH:8])=[CH:25][CH:13]=[CH:20][CH:14]=[CH:26]1>>[C:1]1([C:5]([CH2:10][CH2:18][CH2:11][CH2:19][CH3:12])=[CH:21][C:30]([O:4][CH3:22])=...
[O][-Fork1][0][-CH3][-C][=Fork1][0][=O][-C][#=C][0-Fork1][e][0-C][-0Fork1][4][-0B][-Fork1][0][-OH1][-OH1][=CH1][-CH1][=CH1][-CH1][=CH1][-Link1][7][-CH2][-CH2][-CH2][-CH2][-CH3]
C(C1=CC=CC=C1)N1CCC(CC1)C(=O)OCC>C1CCCO1.C(CCC)[Li].C(C)(C)NC(C)C.N([S](=O)(=O)C1=CC=CC=C1)([S](=O)(=O)C2=CC=CC=C2)F>C(C1=CC=CC=C1)N1CCC(CC1)(C(=O)OCC)F
[CH2:1]([CH3:12])[CH2:48][CH2:18][Li:49].[CH:19]([CH3:37])([CH3:38])[NH:50][CH:20]([CH3:39])[CH3:40].[O:33]1[CH2:54][CH2:44][CH2:43][CH2:55]1.[C:2]1([CH2:36][N:51]2[CH2:27][CH2:46][CH:13]([C:53]([O:3][CH2:24][CH3:26])=[O:25])[CH2:47][CH2:28]2)=[CH:16][CH:14]=[CH:21][CH:15]=[CH:17]1.[CH:4]1=[CH:8][C:41]([S:34](=[O:29])(...
[C][=Fork1][6][=CH1][-CH1][=CH1][-CH1][=CH1][-Link1][4][-CH2][-N][-CH2][-CH2][-CH1][-Fork1][3][-CH2][-CH2][-Link1][4][0-Fork2][2][1][0-F][-0N][-Fork1][e][-S][=Fork1][0][=O][=Fork1][0][=O][-C][-CH1][=CH1][-CH1][=CH1][-CH1][=Link1][4][-S][=Fork1][0][=O][=Fork1][0][=O][-C][=CH1][-CH1][=CH1][-CH1][=CH1][-Link1][4][-C][-For...
C(C)OP(=O)(OCC)CC(=O)OC(C)(C)C.C(C(C)C)=O>C1CCCO1.[Br-].C[Mg+]>CC(/C=C/C(=O)OC(C)(C)C)C
[Br-:14].[C:3]([CH3:7])([CH3:8])([CH3:9])[O:18][C:4]([CH2:13][P:5]([O:15][CH2:11][CH3:26])([O:16][CH2:12][CH3:27])=[O:20])=[O:25].[CH3:10][Mg+:17].[CH:1](=[O:2])[CH:6]([CH3:21])[CH3:22].[O:19]1[CH2:28][CH2:24][CH2:23][CH2:29]1>>[CH:1]([CH:6]([CH3:21])[CH3:22])=[CH:13][C:4]([O:18][C:3]([CH3:7])([CH3:8])[CH3:9])=[O:25]
[C][-Fork1][0][-CH3][-Fork1][0][-CH3][-Fork1][0][-CH3][-O][-C][-Fork2][1][7][-CH2][0=Fork1][8][0=CH1][=0Fork1][0][=0O][-CH1][-Fork1][0][-CH3][-CH3][-0P][-Fork1][2][-O][-CH2][-CH3][-Fork1][2][-O][-CH2][-CH3][=O][=O]
CC(/C=C/C(=O)OC(C)(C)C)C.C(C1=CC=CC=C1)N[C@@H](C1=CC=CC=C1)C>C1CCCO1.C(CCC)[Li]>C(C1=CC=CC=C1)N([C@@H](C1=CC=CC=C1)C)[C@@H](CC(=O)OC(C)(C)C)C(C)C
[C:3]([CH3:10])([CH3:11])([CH3:12])[O:19][C:28]([CH:17]=[CH:27][CH:30]([CH3:14])[CH3:15])=[O:22].[CH2:1]([CH3:4])[CH2:35][CH2:16][Li:36].[O:24]1[CH2:37][CH2:32][CH2:31][CH2:38]1.[C:2]1([CH:29]([NH:5][CH2:13][C:23]2=[CH:33][CH:6]=[CH:20][CH:7]=[CH:34]2)[CH3:18])=[CH:8][CH:25]=[CH:21][CH:26]=[CH:9]1>>[C:2]1([CH:29]([N:5]...
[C][-Fork1][0][-CH3][-Fork1][0][-CH3][-Fork1][0][-CH3][-O][-C][-Fork2][2][1][-CH1][=-CH1][0-Fork2][1][7][0-NH1][-Fork1][8][-CH2][-C][=CH1][-CH1][=CH1][-CH1][=CH1][-Link1][4][-CH1][-Fork1][7][-C][=CH1][-CH1][=CH1][-CH1][=CH1][-Link1][4][-CH3][-CH1][-Fork1][0][-CH3][-CH3][=O]
C(C1=CC=CC=C1)N([C@@H](C1=CC=CC=C1)C)[C@@H](CC(=O)OC(C)(C)C)C(C)C>CO[H].O.O.[Pd].[HH]>N[C@@H](CC(=O)OC(C)(C)C)C(C)C
[CH2:1]([CH:16]([N:7]([CH2:2][C:31]1=[CH:11][CH:5]=[CH:23][CH:6]=[CH:12]1)[CH:9]([C:8]1=[CH:33][CH:27]=[CH:22][CH:28]=[CH:34]1)[CH3:32])[CH:19]([CH3:24])[CH3:25])[C:17](=[O:18])[O:26][C:3]([CH3:13])([CH3:14])[CH3:15].[HH:29].[OH2:20].[OH2:21].[OH:10][CH3:30].[Pd:4]>>[CH2:1]([CH:16]([NH2:7])[CH:19]([CH3:24])[CH3:25])[C:...
[CH2][-Fork2][2][0][-CH1][-Fork2][1][7][-N][-0Fork1][8][-0CH2][-C][=CH1][-CH1][=CH1][-CH1][=CH1][-Link1][4][-0CH1][-Fork1][7][-C][=CH1][-CH1][=CH1][-CH1][=CH1][-Link1][4][-CH3][-CH1][-Fork1][0][-CH3][-CH3][-C][=Fork1][0][=O][-O][-C][-Fork1][0][-CH3][-Fork1][0][-CH3][-CH3]
N[C@@H](CC(=O)OC(C)(C)C)C(C)C>ClCCl.C(=O)(C(F)(F)F)O>N[C@@H](CC(=O)O)C(C)C
[CH2:6]([Cl:7])[Cl:8].[CH:1]([CH2:4][C:14](=[O:15])[O:16][C:5]([CH3:9])([CH3:10])[CH3:11])([NH2:13])[CH:18]([CH3:2])[CH3:3].[O:12]=[C:22]([C:17]([F:19])([F:20])[F:21])[OH:23]>>[CH:1]([CH2:4][C:14](=[O:15])[OH:16])([NH2:13])[CH:18]([CH3:2])[CH3:3]
[CH1][-Fork1][d][-CH2][-C][=Fork1][0][=O][-O][-0C][-Fork1][0][-CH3][-Fork1][0][-CH3][-CH3][-Fork1][0][-NH2][-CH1][-Fork1][0][-CH3][-CH3]
C=C(C=C)C=C.C1(=CC=CC=C1)N=O>C(Cl)(Cl)(Cl)[H]>C1C(=CCON1C2=CC=CC=C2)C=C
[CH2:5]=[C:15]([CH:13]=[CH2:17])[CH:14]=[CH2:18].[CH:2]([Cl:6])([Cl:7])[Cl:8].[O:1]=[N:12][C:16]1=[CH:9][CH:3]=[CH:11][CH:4]=[CH:10]1>>[O:1]1[N:12]([C:16]2=[CH:9][CH:3]=[CH:11][CH:4]=[CH:10]2)[CH2:5][C:15]([CH:13]=[CH2:17])=[CH:14][CH2:18]1
[CH2][0-N][=-Fork1][7][=-O][0-CH2][=-CH1][-=C][=-Link1][4][-CH1][=CH2][-C][=CH1][-CH1][=CH1][-CH1][=CH1][-Link1][4]
ClC1=C(C=CC2=CC=CC=C12)OC.C(CCCCC)(=O)Cl>ClCCl.[Al](Cl)(Cl)Cl>ClC1=C2C=CC(=CC2=CC=C1OC)C(CCCCC)=O
[CH2:5]([CH2:15][CH2:23][C:25]([Cl:10])=[O:14])[CH2:16][CH3:6].[CH2:8]([Cl:12])[Cl:13].[Cl:18][Al:27]([Cl:19])[Cl:20].[C:1]12=[CH:3][CH:4]=[CH:9][CH:7]=[C:22]1[CH:21]=[CH:11][C:28]([O:2][CH3:26])=[C:24]2[Cl:17]>>[C:1]12=[CH:3][CH:4]=[C:9]([C:25](=[O:14])[CH2:23][CH2:15][CH2:5][CH2:16][CH3:6])[CH:7]=[C:22]1[CH:21]=[CH:1...
[CH2][-Fork2][1][e][-CH2][-CH2][-C][0-Fork2][1][4][0-CH1][=CH1][-CH1][=C][-C][=Fork1][2][=CH1][-Link1][4][-CH1][=CH1][-C][-Fork1][1][-O][-CH3][=C][-Link1][7][-Cl][-0Fork1][0][-0Cl][=O][-CH2][-CH3]
ClC1=C2C=CC(=CC2=CC=C1OC)C(CCCCC)=O>ClCCl.C(C)(=O)OCC.[Cu](Br)Br>BrC(C(=O)C1=CC2=CC=C(C(=C2C=C1)Cl)OC)CCCC
[Br:12][Cu:18][Br:13].[CH2:8]([Cl:14])[Cl:15].[CH3:1][C:25](=[O:9])[O:16][CH2:27][CH3:23].[C:2]12=[CH:28][C:20]([C:31](=[O:4])[CH2:24][CH2:30][CH2:5][CH2:17][CH3:7])=[CH:22][CH:6]=[C:10]1[C:21]([Cl:19])=[C:32]([O:3][CH3:29])[CH:11]=[CH:26]2>>[C:2]12=[CH:28][C:20]([C:31](=[O:4])[CH:24]([Br:12])[CH2:30][CH2:5][CH2:17][CH...
[Br][-0Fork1][1][-0Cu][-Br][0-CH2][-Fork1][3][-CH2][-CH2][-CH2][-CH3][-C][=Fork1][0][=O][-C][=CH1][-CH1][=C][-C][-Fork1][a][-CH1][=CH1][-C][-Fork1][1][-O][-CH3][=C][-Link1][6][-Cl][=CH1][-Link1][b]
BrC(C(=O)C1=CC2=CC=C(C(=C2C=C1)Cl)OC)CCCC.C1(=CC=CC=C1)[C@H](C)N>CCN(CC)CC.CCO[H]>ClC1=C2C=CC(=CC2=CC=C1OC)C([C@H](CCCC)N[C@@H](C)C1=CC=CC=C1)=O
[CH2:9]([N:34]([CH2:10][CH3:36])[CH2:11][CH3:37])[CH3:35].[CH:2]([CH3:18])([NH2:21])[C:24]1=[CH:14][CH:25]=[CH:20][CH:26]=[CH:15]1.[OH:6][CH2:17][CH3:16].[C:1]12=[CH:33][C:27]([C:39]([CH:5]([CH2:31][CH2:29][CH2:4][CH3:8])[Br:40])=[O:23])=[CH:30][CH:7]=[C:12]1[C:22]([Cl:19])=[C:38]([O:3][CH3:32])[CH:13]=[CH:28]2>>[C:1]1...
[CH1][-Fork1][0][-CH3][-Fork2][2][4][-NH2][0-CH1][-Fork1][3][-CH2][-CH2][-CH2][-CH3][-Fork2][1][8][-C][=Fork1][0][=O][-C][=CH1][-CH1][=C][-C][-Fork1][a][-CH1][=CH1][-C][-Fork1][1][-O][-CH3][=C][-Link1][6][-Cl][=CH1][-Link1][b][-0Br][-C][=CH1][-CH1][=CH1][-CH1][=CH1][-Link1][4]
ClC1=C2C=CC(=CC2=CC=C1OC)C([C@H](CCCC)N[C@@H](C)C1=CC=CC=C1)=O>[Na+].[BH4-].CCO[H]>ClC1=C2C=CC(=CC2=CC=C1OC)[C@H]([C@H](CCCC)N[C@@H](C)C1=CC=CC=C1)O
[BH4-:24].[Na+:20].[OH:9][CH2:19][CH3:18].[C:1]1([C:10](=[O:5])[CH:8]([NH:27][CH:3]([CH3:6])[C:30]2=[CH:16][CH:25]=[CH:22][CH:26]=[CH:17]2)[CH2:33][CH2:13][CH2:7][CH3:12])=[CH:29][CH:11]=[C:14]2[C:2](=[CH:32]1)[CH:28]=[CH:15][C:34]([O:4][CH3:31])=[C:23]2[Cl:21]>>[C:1]1([CH:10]([OH:5])[CH:8]([NH:27][CH:3]([CH3:6])[C:30]...
[C][-Fork2][1][7][-C][=-Fork1][0][=-O][-CH1][-Fork1][c][-NH1][-CH1][-Fork1][0][-CH3][-C][=CH1][-CH1][=CH1][-CH1][=CH1][-Link1][4][-CH2][-CH2][-CH2][-CH3][=CH1][-CH1][=C][-C][-Fork1][a][-CH1][=CH1][-C][-Fork1][1][-O][-CH3][=C][-Link1][6][-Cl][=CH1][-Link2][1][b]
ClC1=C2C=CC(=CC2=CC=C1OC)[C@H]([C@H](CCCC)N[C@@H](C)C1=CC=CC=C1)O>CCO[H].[HH].[Pd]>N[C@H]([C@H](O)C1=CC2=CC=C(C=C2C=C1)OC)CCCC
[HH:31].[OH:7][CH2:17][CH3:16].[Pd:8].[CH:1]1=[C:3]([CH:18]([OH:19])[CH:23]([NH:21][CH:2]([CH3:5])[C:32]2=[CH:13][CH:27]=[CH:22][CH:28]=[CH:14]2)[CH2:29][CH2:15][CH2:6][CH3:9])[CH:10]=[CH:26][C:11]2=[C:24]1[CH:30]=[CH:12][C:34]([O:4][CH3:33])=[C:25]2[Cl:20]>>[CH:1]1=[C:3]([CH:18]([OH:19])[CH:23]([NH2:21])[CH2:29][CH2:1...
[CH1][=C][-Fork2][1][0][-CH1][=CH1][-C][=C][-Link1][4][-CH1][=CH1][-C][-Fork1][1][-O][-CH3][=C][-Link1][6][-0Cl][-CH1][-Fork1][0][-OH1][-CH1][-Fork1][c][-NH1][-0CH1][-Fork1][0][-CH3][-C][=CH1][-CH1][=CH1][-CH1][=CH1][-Link1][4][-CH2][-CH2][-CH2][-CH3]
N[C@H]([C@H](O)C1=CC2=CC=C(C=C2C=C1)OC)CCCC>ClCCl.CCN(CC)CC.C(=O)(C=1NC=CN1)C=1NC=CN1>C(CCC)[C@@H]1NC(O[C@@H]1C1=CC2=CC=C(C=C2C=C1)OC)=O
[CH2:12]([N:31]([CH2:13][CH3:36])[CH2:14][CH3:37])[CH3:35].[CH2:16]([Cl:20])[Cl:21].[CH:1]1=[CH:9][N:33]=[C:24]([C:23](=[O:15])[C:25]2=[N:32][CH:10]=[CH:2][NH:42]2)[NH:41]1.[CH:3]1=[C:18]([O:30][CH3:28])[CH:17]=[C:26]2[CH:4]=[CH:5][C:7]([CH:29]([CH:34]([NH2:6])[CH2:38][CH2:40][CH2:8][CH3:11])[OH:39])=[CH:22][C:27]2=[CH...
[CH1][=CH1][-N][=C][-0Fork2][2][f][-0C][0-Fork2][2][1][0-NH2][-CH1][-Fork2][1][8][-CH1][-Fork2][1][1][-C][-CH1][=CH1][-C][=CH1][-C][=Fork1][7][=CH1][-CH1][=C][-Link1][4][-CH1][=Link1][8][-O][-CH3][-OH1][0-Link1][f][-CH2][-CH2][-CH2][-CH3][=Fork1][0][=O][-0C][=N][-CH1][=CH1][-NH1][-Link1][3][-NH1][-Link2][1][e]
C(CCC)[C@@H]1NC(O[C@@H]1C1=CC2=CC=C(C=C2C=C1)OC)=O.[Cl-].[Na+]>O.S(O)(O)(=O)=O.ClCCl.Cl[O-].[Na+]>C(CCC)[C@@H]1NC(O[C@@H]1C1=CC2=CC=C(C(=C2C=C1)Cl)OC)=O
[CH2:10]([Cl:14])[Cl:15].[Cl-:30].[Na+:18].[Na+:19].[O-:23][Cl:28].[O:6]=[S:29](=[O:7])([OH:24])[OH:25].[OH2:21].[C:1]1([CH:17]2[CH:9]([CH2:36][CH2:16][CH2:5][CH3:8])[NH:4][C:31](=[O:35])[O:22]2)=[CH:20][C:27]2=[CH:13][CH:2]=[C:12]([O:33][CH3:32])[CH:11]=[C:26]2[CH:3]=[CH:34]1>>[C:1]1([CH:17]2[CH:9]([CH2:36][CH2:16][CH...
[O-1][-0Cl][0-CH1][-C][=Fork2][1][e][=CH1][-CH1][=C][-CH1][=C][-Fork1][f][-CH1][-CH1][-Fork1][7][-NH1][-C][-Fork1][2][-O][-Link1][3][=O][-CH2][-CH2][-CH2][-CH3][-CH1][=CH1][-C][=Link2][1][2][-Link1][e][-O][-CH3]
C(CCC)[C@@H]1NC(O[C@@H]1C1=CC2=CC=C(C(=C2C=C1)Cl)OC)=O>O.CO[H].[OH-].[Na+]>N[C@H]([C@H](O)C1=CC2=CC=C(C(=C2C=C1)Cl)OC)CCCC
[Na+:13].[OH-:18].[OH2:15].[OH:9][CH3:25].[C:1]1([CH:12]2[CH:6]([CH2:27][CH2:10][CH2:4][CH3:5])[NH:3][C:24](=[O:26])[O:16]2)=[CH:11][C:19]2=[C:7]([C:20]([Cl:17])=[C:28]([O:2][CH3:23])[CH:8]=[CH:22]2)[CH:21]=[CH:14]1>>[C:1]1([CH:12]([CH:6]([NH2:3])[CH2:27][CH2:10][CH2:4][CH3:5])[OH:16])=[CH:11][C:19]2=[C:7]([C:20]([Cl:1...
[C][=Fork2][1][5][=CH1][-C][=C][-Fork1][c][-C][-Fork1][0][-Cl][=C][-Fork1][1][-O][-CH3][-CH1][=CH1][-Link1][7][-CH1][=CH1][-Link1][b][-CH1][-CH1][-Fork1][7][-NH1][-0C][-0Fork1][2][-0O][-Link1][3][=O][-CH2][-CH2][-CH2][-CH3]
FC=1C=CC(=C(C(=O)O)C1)C>S(O)(O)(=O)=O.[N+](=O)(O)[O-]>FC=1C=C(C(=C(C(=O)O)C1)C)[N+](=O)[O-]
[N+:1]([O-:7])(=[O:15])[OH:20].[O:4]=[S:18](=[O:5])([OH:16])[OH:17].[CH:2]1=[C:10]([CH3:12])[C:8]([C:6]([OH:9])=[O:13])=[CH:19][C:11]([F:3])=[CH:14]1>>[N+:1]([C:2]1=[C:10]([CH3:12])[C:8]([C:6]([OH:9])=[O:13])=[CH:19][C:11]([F:3])=[CH:14]1)([O-:7])=[O:15]
[N+1][0-Fork2][1][4][0-CH1][=C][-Fork1][f][-C][-Fork1][4][-C][-Fork1][0][-OH1][=O][=CH1][-C][-Fork1][0][-F][=CH1][-Link1][8][-CH3][-Fork1][0][-O-1][=Fork1][0][=O][-0OH1]
FC=1C=C(C(=C(C(=O)O)C1)C)[N+](=O)[O-]>S(O)(O)(=O)=O.CO[H]>COC(C1=C(C(=CC(=C1)F)[N+](=O)[O-])C)=O
[O:4]=[S:16](=[O:5])([OH:13])[OH:14].[OH:8][CH3:18].[C:1]1([C:10]([OH:6])=[O:11])=[C:15]([CH3:9])[C:19]([N+:21]([O-:2])=[O:7])=[CH:3][C:12]([F:17])=[CH:20]1>>[C:1]1([C:10]([O:8][CH3:18])=[O:11])=[C:15]([CH3:9])[C:19]([N+:21]([O-:2])=[O:7])=[CH:3][C:12]([F:17])=[CH:20]1
[OH1][0-Fork2][1][c][0-C][-Fork2][1][4][-C][=C][-Fork1][0][-CH3][-C][=Fork1][7][=CH1][-C][-Fork1][0][-F][=CH1][-Link1][6][-N+1][-Fork1][0][-O-1][=O][-0Fork1][0][-0OH1][=O][-CH3]
C(C=C)Br.C(C1=CC=CO1)=O>C1CCCO1.[Zn]>OC(CC=C)C=1OC=CC1
[CH:1](=[CH2:3])[CH2:6][Br:10].[O:7]1[CH2:16][CH2:13][CH2:12][CH2:17]1.[Zn:9].[C:2]1([CH:11]=[O:4])=[CH:5][CH:8]=[CH:14][O:15]1>>[CH:1](=[CH2:3])[CH2:6][CH:11]([C:2]1=[CH:5][CH:8]=[CH:14][O:15]1)[OH:4]
[CH1][=Fork1][0][=CH2][-CH2][-0Fork1][0][-0Br][0-CH1][-Fork1][6][-C][=CH1][-CH1][=CH1][-O][-Link1][3][=-O]
OC(CC=C)C=1OC=CC1>N(C)(C)C=O.C1CCCO1.c1cnc[nH]1.C(C)(C)(C)[Si](C)(C)Cl>C(C)(C)(C)[Si](OC(CC=C)C=1OC=CC1)(C)C
[CH3:3][Si:20]([CH3:4])([Cl:11])[C:15]([CH3:17])([CH3:18])[CH3:19].[CH3:5][N:26]([CH3:6])[CH:23]=[O:31].[CH:7](=[CH2:9])[CH2:16][CH:8]([C:13]1=[CH:30][CH:22]=[CH:27][O:12]1)[OH:29].[O:21]1[CH2:32][CH2:25][CH2:24][CH2:33]1.[CH:1]1=[CH:10][N:28]=[CH:2][NH:14]1>>[CH3:3][Si:20]([CH3:4])([C:15]([CH3:17])([CH3:18])[CH3:19])[...
[CH3][-Si][-Fork1][0][-CH3][-0Fork1][0][-0Cl][-Fork1][7][-C][-Fork1][0][-CH3][-Fork1][0][-CH3][-CH3][0-OH1][-CH1][-Fork1][6][-C][-O][-CH1][=CH1][-CH1][=Link1][3][-CH2][-CH1][=CH2]
C(C)(C)(C)[Si](OC(CC=C)C=1OC=CC1)(C)C>O.O.[O-][Os](=O)(=O)[O-].[K+].[K+].CCC1CN2CCC1CC2C(C3=C4C=C(C=CC4=NC=C3)OC)OC5=NN=C(C6=CC=CC=C65)OC(C7CC8CCN7CC8CC)C9=C1C=C(C=CC1=NC=C9)OC.C[N+]1(CCOCC1)[O-].CC(=O)C>C(C)(C)(C)[Si](OC(CC(CO)O)C=1OC=CC1)(C)C
[C:61]([CH3:81])([CH3:82])=[O:90].[CH2:1]([CH3:18])[CH:43]1[CH2:14][N:29]2[CH:10]([CH:62]([C:52]3=[CH:48][CH:39]=[N:50][C:46]4=[C:54]3[CH:79]=[C:70]([O:86][CH3:84])[CH:4]=[CH:75]4)[O:71][C:87]3=[N:5][N:6]=[C:88]([O:72][CH:63]([CH:11]4[CH2:21][CH:26]5[CH:44]([CH2:2][CH3:19])[CH2:15][N:30]4[CH2:33][CH2:96]5)[C:51]4=[CH:4...
[CH2][-CH2][-N+1][-Fork1][4][-CH2][-CH2][-O][-Link1][4][-Fork1][0][-CH3][-0O-1][0-CH1][-Fork2][1][a][-CH2][-CH1][-Fork1][6][-C][-O][-CH1][=CH1][-CH1][=Link1][3][-O][-Si][-Fork1][7][-C][-Fork1][0][-CH3][-Fork1][0][-CH3][-CH3][-Fork1][0][-CH3][-CH3][=-CH2][0-O-1][-0Os][-Fork1][0][-O-1][=Fork1][0][=O][=O]
C1(CCCCC1)CC(=O)O.Cl.CNOC>C1CCCO1.C(=O)(C=1NC=CN1)C=1NC=CN1>C1(CCCCC1)CC(=O)N(C)OC
[CH2:7]1[CH2:27][CH2:12][CH:14]([CH2:21][C:10](=[O:8])[OH:9])[CH2:13][CH2:28]1.[CH3:1][NH:18][O:17][CH3:19].[ClH:24].[O:20]1[CH2:31][CH2:23][CH2:22][CH2:32]1.[CH:2]1=[CH:4][N:25]=[C:15]([C:11](=[O:6])[C:16]2=[N:26][CH:5]=[CH:3][NH:30]2)[NH:29]1>>[CH3:1][N:18]([C:10](=[O:8])[CH2:21][CH:14]1[CH2:12][CH2:27][CH2:7][CH2:28...
[CH3][-NH1][0-Fork1][f][0-C][=Fork1][0][=O][-0Fork1][0][-0OH1][-CH2][-CH1][-CH2][-CH2][-CH2][-CH2][-CH2][-Link1][4][-O][-CH3]
BrC1=C(C=CC=C1)OC>C1CCCO1.CC(C)C[AlH]CC(C)C.[Mg]>[Br-].O(C)C1=C(C=CC=C1)[Mg+]
[CH:4]([CH3:6])([CH3:7])[CH2:14][AlH:12][CH2:15][CH:5]([CH3:8])[CH3:9].[Mg:11].[O:16]1[CH2:23][CH2:20][CH2:19][CH2:24]1.[C:1]1([Br:10])=[CH:13][CH:2]=[CH:17][CH:3]=[C:22]1[O:21][CH3:18]>>[Br-:10].[C:1]1([Mg+:11])=[CH:13][CH:2]=[CH:17][CH:3]=[C:22]1[O:21][CH3:18]
[C][-0Fork1][0][-0Br][0-Fork1][0][0-Mg][=CH1][-CH1][=CH1][-CH1][=C][-Link1][6][-O][-CH3]
C1(CCCCC1)CC(=O)N(C)OC.[Br-].O(C)C1=C(C=CC=C1)[Mg+]>C1CCCO1.COC(C)(C)C>C1(CCCCC1)CC(=O)C1=C(C=CC=C1)OC
[Br-:15].[CH3:7][O:25][N:31]([C:8]([CH2:14][CH:21]1[CH2:16][CH2:29][CH2:12][CH2:30][CH2:17]1)=[O:18])[CH3:23].[O:1]([C:5]1=[C:3]([Mg+:19])[CH:26]=[CH:13][CH:22]=[CH:6]1)[CH3:24].[O:20]1[CH2:33][CH2:28][CH2:27][CH2:34]1.[O:2]([C:4]([CH3:9])([CH3:10])[CH3:11])[CH3:32]>>[O:1]([C:5]1=[C:3]([C:8]([CH2:14][CH:21]2[CH2:16][CH...
[CH3][-O][-N][-0Fork2][1][d][-0C][0-Fork1][e][0-C][=Fork1][a][=C][-Fork1][1][-O][-CH3][-CH1][=CH1][-CH1][=CH1][-Link1][6][-0Mg+1][-Fork1][8][-CH2][-CH1][-CH2][-CH2][-CH2][-CH2][-CH2][-Link1][4][=O][-CH3]
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.N[C@@H](CO)C(=O)O>[OH-].[Na+].O1CCOCC1>C(=O)(OC(C)(C)C)N[C@@H](CO)C(=O)O
[C:4]([CH3:9])([CH3:10])([CH3:11])[O:21][C:18](=[O:6])[O:20][C:19](=[O:7])[O:22][C:5]([CH3:12])([CH3:13])[CH3:14].[NH2:1][CH:25]([C:2](=[O:3])[OH:8])[CH2:24][OH:30].[Na+:15].[O:16]1[CH2:27][CH2:26][O:17][CH2:29][CH2:28]1.[OH-:23]>>[NH:1]([C:18](=[O:6])[O:21][C:4]([CH3:9])([CH3:10])[CH3:11])[CH:25]([C:2](=[O:3])[OH:8])[...
[C][-Fork1][0][-CH3][-Fork1][0][-CH3][-Fork1][0][-CH3][-O][-C][0-Fork1][a][0-NH2][-CH1][-Fork1][4][-C][=Fork1][0][=O][-OH1][-CH2][-OH1][=Fork1][0][=O][-0O][-C][=Fork1][0][=O][-O][-C][-Fork1][0][-CH3][-Fork1][0][-CH3][-CH3]
C(=O)(OC(C)(C)C)N[C@@H](CO)C(=O)O.CI>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>COC([C@@H](NC(=O)OC(C)(C)C)CO)=O
[C:1](=[O:15])([CH:20]([CH2:16][OH:23])[NH:24][C:11]([O:12][C:27]([CH3:8])([CH3:9])[CH3:10])=[O:18])[OH:26].[CH3:3][N:21]([CH3:4])[CH:19]=[O:25].[CH3:7][I:22].[K+:5].[K+:6].[O:2]=[C:17]([O-:13])[O-:14]>>[C:1](=[O:15])([CH:20]([CH2:16][OH:23])[NH:24][C:11]([O:12][C:27]([CH3:8])([CH3:9])[CH3:10])=[O:18])[O:26][CH3:7]
[C][=Fork1][0][=O][-Fork2][1][2][-CH1][-Fork1][1][-CH2][-OH1][-NH1][-C][-Fork1][8][-O][-C][-Fork1][0][-CH3][-Fork1][0][-CH3][-CH3][=O][-OH1][0-CH3][-0I]
COC([C@@H](NC(=O)OC(C)(C)C)CO)=O.COC(C)(C)OC>C1=CC=CC=C1.O.C1(=CC=C(C=C1)S(=O)(=O)O)C>CC1(OC[C@H](N1C(=O)OC(C)(C)C)C(=O)OC)C
[C:7]([CH:19]([CH2:14][OH:38])[NH:32][C:15]([O:18][C:40]([CH3:11])([CH3:12])[CH3:13])=[O:31])(=[O:23])[O:35][CH3:10].[CH3:1][C:37]1=[CH:16][CH:33]=[C:2]([S:39](=[O:8])(=[O:9])[OH:24])[CH:34]=[CH:17]1.[CH3:3][O:21][C:36]([CH3:5])([CH3:6])[O:22][CH3:4].[OH2:20].[CH:25]1=[CH:26][CH:27]=[CH:28][CH:29]=[CH:30]1>>[CH3:5][C:3...
[C][-Fork2][2][1][-CH1][-CH2][-OH1][0-C][-Fork1][0][-CH3][-Fork1][0][-CH3][-0Fork1][1][-0O][-CH3][-0Fork1][1][-0O][-CH3][0-NH1][-Link1][9][-C][-Fork1][8][-O][-C][-Fork1][0][-CH3][-Fork1][0][-CH3][-CH3][=O][=Fork1][0][=O][-O][-CH3]
CC1(OC[C@H](N1C(=O)OC(C)(C)C)C(=O)OC)C>C1(=CC=CC=C1)C.CC(C)C[AlH]CC(C)C>C(=O)[C@H]1N(C(OC1)(C)C)C(=O)OC(C)(C)C
[CH:5]([CH3:7])([CH3:8])[CH2:31][AlH:17][CH2:32][CH:6]([CH3:9])[CH3:10].[O:2]([C:13](=[O:4])[CH:11]1[N:12]([C:34](=[O:27])[O:29][C:26]([CH3:23])([CH3:24])[CH3:25])[C:33]([CH3:14])([CH3:15])[O:30][CH2:16]1)[CH3:20].[C:1]1([CH3:3])=[CH:18][CH:21]=[CH:28][CH:22]=[CH:19]1>>[O:4]=[CH:13][CH:11]1[N:12]([C:34](=[O:27])[O:29][...
[O][-0Fork2][1][f][-0C][=Fork1][0][=O][-CH1][-N][-Fork1][a][-C][-Fork1][0][-CH3][-Fork1][0][-CH3][-O][-CH2][-Link1][5][-C][=Fork1][0][=O][-O][-C][-Fork1][0][-CH3][-Fork1][0][-CH3][-CH3][-CH3]
Cl.COC([C@@H](N)CCSC)=O.ClC(=O)OCC1=CC=CC=C1>C([O-])(O)=O.[K+].O.C(C)OCC>COC([C@@H](NC(=O)OCC1=CC=CC=C1)CCSC)=O
[CH2:13]([O:24][CH2:14][CH3:27])[CH3:26].[ClH:31].[K+:9].[O:4]=[C:15]([O-:11])[OH:21].[OH2:16].[S:5]([CH3:23])[CH2:25][CH2:10][CH:19]([C:32](=[O:6])[O:22][CH3:12])[NH2:33].[CH:1]1=[CH:7][CH:20]=[CH:8][CH:2]=[C:29]1[CH2:18][O:30][C:3]([Cl:17])=[O:28]>>[CH:1]1=[CH:7][CH:20]=[CH:8][CH:2]=[C:29]1[CH2:18][O:30][C:3](=[O:28]...
[S][-Fork1][0][-CH3][-CH2][-CH2][-CH1][-Fork1][5][-C][=Fork1][0][=O][-O][-CH3][-NH2][0-C][-0Fork1][0][-0Cl][=Fork1][0][=O][-O][-CH2][-C][-CH1][=CH1][-CH1][=CH1][-CH1][=Link1][4]
C1(C=CCC1)CC(=O)O>C1(=CC=CC=C1)C.C(C(=O)Cl)(=O)Cl>C1(C=CCC1)CC(=O)Cl
[C:1]([C:2]([Cl:7])=[O:15])([Cl:8])=[O:14].[CH:5]1([CH2:21][C:22](=[O:16])[OH:17])[CH:18]=[CH:9][CH2:6][CH2:20]1.[C:3]1([CH3:4])=[CH:10][CH:12]=[CH:19][CH:13]=[CH:11]1>>[CH:5]1([CH2:21][C:22]([Cl:7])=[O:16])[CH:18]=[CH:9][CH2:6][CH2:20]1
[C][-Fork2][1][3][-C][-0Fork1][f][-0Cl][0-C][=Fork1][0][=O][-0Fork1][0][-0OH1][-CH2][-CH1][-CH1][=CH1][-CH2][-CH2][-Link1][3][=O][-Fork1][0][-Cl][=O]
C1(C=CCC1)CC(=O)Cl>N>C1(C=CCC1)CC(=O)N
[CH2:1]1[CH:2]=[CH:5][CH:10]([CH2:9][C:3](=[O:4])[Cl:6])[CH2:7]1.[NH3:8]>>[CH2:1]1[CH:2]=[CH:5][CH:10]([CH2:9][C:3](=[O:4])[NH2:8])[CH2:7]1
[CH2][-CH1][=CH1][-CH1][-Fork1][2][-CH2][-Link1][3][-CH2][-C][=Fork1][0][=O][-0Fork1][0][-0Cl][0-NH3]
C(CC)=O.[N+](=O)([O-])CCC>C(C)(C)O.[F-].[K+]>[N+](=O)([O-])C(C(CC)O)CC
[CH2:5]([CH3:6])[CH:12]=[O:16].[F-:13].[K+:3].[N+:1]([O-:7])([CH2:11][CH2:15][CH3:10])=[O:14].[OH:2][CH:4]([CH3:8])[CH3:9]>>[N+:1]([O-:7])([CH:11]([CH:12]([CH2:5][CH3:6])[OH:16])[CH2:15][CH3:10])=[O:14]
[CH2][-Fork1][0][-CH3][-CH1][0-Fork1][9][0-CH2][-Fork1][4][-N+1][-Fork1][0][-O-1][=O][-CH2][-CH3][=-O]
[N+](=O)([O-])C(C(CC)O)CC.C(C)(=O)OC(C)=O>S(O)(O)(=O)=O>C(C)(=O)OC(C(CC)[N+](=O)[O-])CC
[O-:5][N+:7]([CH:10]([CH:18]([CH2:6][CH3:20])[OH:12])[CH2:22][CH3:15])=[O:11].[O:1]=[C:13]([CH3:8])[O:21][C:14](=[O:2])[CH3:9].[O:3]=[S:19](=[O:4])([OH:16])[OH:17]>>[O:1]=[C:13]([CH3:8])[O:12][CH:18]([CH2:6][CH3:20])[CH:10]([N+:7]([O-:5])=[O:11])[CH2:22][CH3:15]
[O-1][-N+1][-Fork2][1][8][-CH1][-Fork2][1][2][-CH1][-Fork1][1][-CH2][-CH3][-OH1][0-C][=Fork1][0][=O][-Fork1][0][-CH3][-0O][-C][=Fork1][0][=O][-CH3][-CH2][-CH3][=O]
CS(=O)(=O)Cl.C(CCC#CC)O>ClCCl.CCN(CC)CC>CS(=O)(=O)OCCCC#CC
[CH2:3]([OH:4])[CH2:21][CH2:15][C:11]#[C:20][CH3:13].[CH2:5]([N:16]([CH2:6][CH3:18])[CH2:7][CH3:19])[CH3:17].[CH2:8]([Cl:9])[Cl:10].[O:1]=[S:14](=[O:2])([CH3:12])[Cl:22]>>[O:1]=[S:14](=[O:2])([O:4][CH2:3][CH2:21][CH2:15][C:11]#[C:20][CH3:13])[CH3:12]
[CH2][-Fork1][b][-OH1][0-S][=Fork1][0][=O][=Fork1][0][=O][-Fork1][0][-CH3][-0Cl][-CH2][-CH2][-C][#C][-CH3]
CS(=O)(=O)OCCCC#CC.C(C1=CC=CC=C1)N>[I-].[Na+].CS(=O)C>C(C1=CC=CC=C1)NCCCC#CC
[CH2:1]([CH2:8][C:13]#[C:25][CH3:24])[CH2:21][O:3][S:2]([CH3:6])(=[O:11])=[O:12].[I-:17].[Na+:14].[S:9](=[O:18])([CH3:19])[CH3:20].[CH:4]1=[CH:15][CH:5]=[CH:23][C:10]([CH2:7][NH2:16])=[CH:22]1>>[CH2:1]([CH2:8][C:13]#[C:25][CH3:24])[CH2:21][NH:16][CH2:7][C:10]1=[CH:22][CH:4]=[CH:15][CH:5]=[CH:23]1
[CH2][-Fork1][3][-CH2][-C][#C][-CH3][-CH2][-0Fork1][8][-0O][-S][-Fork1][0][-CH3][=Fork1][0][=O][=O][0-NH2][-CH2][-C][=CH1][-CH1][=CH1][-CH1][=CH1][-Link1][4]
C1(=CC=CC=C1)S(=O)(=O)C1OCCCC1.C1(=CC=CC=C1)C#C>C1CCCO1.[Br-].[Zn+2].[Br-].C(C)(C)[Mg]Cl>C1(=CC=CC=C1)C#CC1OCCCC1
[Br-:10].[Br-:9].[Mg:6]([CH:13]([CH3:18])[CH3:19])[Cl:25].[O:17]1[CH2:35][CH2:27][CH2:26][CH2:36]1.[Zn+2:22].[C:1]1([C:31]#[CH:24])=[CH:2][CH:15]=[CH:11][CH:16]=[CH:3]1.[CH:4]1=[CH:12][CH:5]=[CH:21][C:23]([S:29]([CH:32]2[CH2:8][CH2:28][CH2:7][CH2:30][O:14]2)(=[O:33])=[O:34])=[CH:20]1>>[C:1]1([C:31]#[C:24][CH:32]2[CH2:8...
[C][=Fork1][6][=CH1][-CH1][=CH1][-CH1][=CH1][-Link1][4][-C][#CH1][0-CH1][-Fork1][6][-CH2][-CH2][-CH2][-CH2][-O][-Link1][4][-0S][-Fork1][7][-C][=CH1][-CH1][=CH1][-CH1][=CH1][-Link1][4][=Fork1][0][=O][=O]
O=C(CC(=O)OC)C>CO[H].[HH].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)P(C7=CC=CC=C7)C8=CC=CC=C8.Cl[Ru]Cl>O[C@@H](CC(=O)OC)C
[Cl:38][Ru:52][Cl:39].[HH:53].[O:17]([CH3:46])[C:60]([CH2:37][C:34]([CH3:24])=[O:47])=[O:58].[OH:25][CH3:59].[C:1]1([C:2]2=[C:36]3[C:12](=[CH:45][CH:55]=[C:14]2[P:57]([C:50]2=[CH:6][CH:29]=[CH:42][CH:30]=[CH:7]2)[C:51]2=[CH:8][CH:31]=[CH:43][CH:32]=[CH:9]2)[CH:21]=[CH:23][CH:16]=[CH:19]3)=[C:35]2[C:11](=[CH:44][CH:54]=...
[C][-Fork1][0][-CH3][-Fork1][6][-CH2][-C][-Fork1][1][-O][-CH3][=O][=-O]
BrC1=CC=CC=C1>C(C)OCC.[Mg].II>[Br-].C1(=CC=CC=C1)[Mg+]
[CH2:4]([O:13][CH2:5][CH3:15])[CH3:14].[I:1][I:2].[Mg:3].[CH:6]1=[C:8]([Br:11])[CH:7]=[CH:10][CH:12]=[CH:9]1>>[Br-:11].[Mg+:3][C:8]1=[CH:6][CH:9]=[CH:12][CH:10]=[CH:7]1
[Mg][0-C][=Fork1][6][=CH1][-CH1][=CH1][-CH1][=CH1][-Link1][4][-0Br]
C1(=CC=CC=C1)C([C@H](O)C1=CC=CC=C1)(O)C1=CC=CC=C1.C(C)(=O)Cl>ClCCl.c1ccncc1>C(C)(=O)O[C@@H](C(C1=CC=CC=C1)(C1=CC=CC=C1)O)C1=CC=CC=C1
[C:6]([Cl:14])(=[O:15])[CH3:22].[CH2:10]([Cl:11])[Cl:12].[CH:1]1=[C:16]([C:9]([C:17]2=[CH:3][CH:25]=[CH:20][CH:26]=[CH:4]2)([CH:34]([OH:13])[C:27]2=[CH:7][CH:28]=[CH:18][CH:29]=[CH:8]2)[OH:35])[CH:2]=[CH:24][CH:19]=[CH:23]1.[N:5]1=[CH:30][CH:32]=[CH:21][CH:33]=[CH:31]1>>[CH:1]1=[C:16]([C:9]([C:17]2=[CH:3][CH:25]=[CH:20...
[C][0-Fork2][2][2][0-OH1][-CH1][-Fork2][1][5][-C][-Fork1][7][-C][=CH1][-CH1][=CH1][-CH1][=CH1][-Link1][4][-Fork1][7][-C][=CH1][-CH1][=CH1][-CH1][=CH1][-Link1][4][-OH1][-C][=CH1][-CH1][=CH1][-CH1][=CH1][-Link1][4][-0Fork1][0][-0Cl][=Fork1][0][=O][-CH3]
[N+](=O)([O-])C1=CC=2CC3=CC=CC=C3C2C=C1>CCO[H].[Pd].O.NN>NC1=CC=2CC3=CC=CC=C3C2C=C1
[NH2:14][NH2:15].[OH2:12].[OH:3][CH2:11][CH3:9].[Pd:4].[CH:1]1=[C:7]([N+:19](=[O:13])[O-:20])[CH:23]=[C:8]2[C:6](=[CH:17]1)[C:10]1=[C:2]([CH:21]=[CH:18][CH:5]=[CH:16]1)[CH2:22]2>>[CH:1]1=[C:7]([NH2:19])[CH:23]=[C:8]2[C:6](=[CH:17]1)[C:10]1=[C:2]([CH:21]=[CH:18][CH:5]=[CH:16]1)[CH2:22]2
[CH1][=C][-Fork1][4][-N+1][=0Fork1][0][=0O][-0O-1][-CH1][=C][-C][-Fork1][c][-C][=C][-Fork1][5][-CH1][=CH1][-CH1][=CH1][-Link1][4][-CH2][-Link1][7][=CH1][-Link1][e]
C(C)(=O)OC(C)=O.N[C@@H](C)C(=O)O>c1ccncc1>C(C)(=O)NC(C(C)=O)C
[NH2:4][CH:7]([C:11]([OH:8])=[O:15])[CH3:17].[O:2]=[C:9]([CH3:5])[O:16][C:10](=[O:3])[CH3:6].[N:1]1=[CH:13][CH:18]=[CH:12][CH:19]=[CH:14]1>>[O:2]=[C:9]([NH:4][CH:7]([C:11]([CH3:6])=[O:8])[CH3:17])[CH3:5]
[NH2][-CH1][-Fork2][1][3][-C][0-Fork1][c][0-CH3][-0C][=Fork1][0][=O][-O][-0C][=Fork1][0][=O][0-Link1][6][-CH3][-=Fork1][0][-=OH1][=0O][-CH3]
C(C)(=O)Cl.C1=CC=CC2=CC3=CC=CC=C3C=C12>[Al](Cl)(Cl)Cl.C1=CC=CC=C1>C(C)(=O)C=1C2=CC=CC=C2C=C2C=CC=CC12
[C:1]([Cl:10])(=[O:11])[CH3:19].[Cl:12][Al:26]([Cl:13])[Cl:14].[CH:20]1=[CH:21][CH:22]=[CH:23][CH:24]=[CH:25]1.[CH:2]1=[CH:3][CH:7]=[C:16]2[C:15](=[CH:6]1)[CH:27]=[C:18]1[CH:9]=[CH:5][CH:4]=[CH:8][C:17]1=[CH:28]2>>[C:1](=[O:11])([CH3:19])[C:27]1=[C:15]2[CH:6]=[CH:2][CH:3]=[CH:7][C:16]2=[CH:28][C:17]2=[CH:8][CH:4]=[CH:5...
[C][-0Fork1][0][-0Cl][=Fork1][0][=O][-Fork1][0][-CH3][0-CH1][-=C][=-CH1][-=CH1][=-CH1][-=CH1][=-C][-Link1][4][-=CH1][=-C][-=CH1][=-CH1][-=CH1][=-CH1][-=C][-Link1][4][=-Link1][c]
C(#C)C1(CCCCC1)O>O.S(O)(O)(=O)=O.[Hg]=O>C(C)(=O)C1(CCCCC1)O
[CH2:1]1[C:3]([C:6]#[CH:10])([OH:8])[CH2:2][CH2:16][CH2:7][CH2:15]1.[O:14]=[Hg:17].[O:4]=[S:13](=[O:5])([OH:11])[OH:12].[OH2:9]>>[CH2:1]1[C:3]([C:6]([CH3:10])=[O:14])([OH:8])[CH2:2][CH2:16][CH2:7][CH2:15]1
[CH2][-C][-Fork1][5][-CH2][-CH2][-CH2][-CH2][-Link1][4][-Fork1][5][-C][#-Fork1][0][#-CH1][0=O][=0Hg][-OH1]
C(CO)Cl.C(C1=CC=CC=C1)(C1=CC=CC=C1)O>S(O)(O)(=O)=O.C1=CC=CC=C1>ClCCOC(C1=CC=CC=C1)C1=CC=CC=C1
[Cl:1][CH2:29][CH2:2][OH:13].[O:3]=[S:28](=[O:4])([OH:16])[OH:17].[CH:18]1=[CH:19][CH:20]=[CH:21][CH:22]=[CH:23]1.[CH:5]1=[C:11]([CH:10]([OH:9])[C:12]2=[CH:7][CH:26]=[CH:15][CH:27]=[CH:8]2)[CH:6]=[CH:25][CH:14]=[CH:24]1>>[Cl:1][CH2:29][CH2:2][O:13][CH:10]([C:11]1=[CH:5][CH:24]=[CH:14][CH:25]=[CH:6]1)[C:12]1=[CH:7][CH:2...
[Cl][-CH2][-CH2][-OH1][0-CH1][-0Fork1][0][-0OH1][-Fork1][7][-C][=CH1][-CH1][=CH1][-CH1][=CH1][-Link1][4][-C][=CH1][-CH1][=CH1][-CH1][=CH1][-Link1][4]
CC=CCCCC>BrN1C(CCC1=O)=O.C(C1=CC=CC=C1)(=O)OOC(C1=CC=CC=C1)=O.C(Cl)(Cl)(Cl)Cl>BrC(C=CC)CCC
[CH:1](=[CH:19][CH2:4][CH2:15][CH2:7][CH3:14])[CH3:28].[Cl:10][C:20]([Cl:11])([Cl:12])[Cl:13].[O:5]=[C:17]1[N:25]([Br:16])[C:18](=[O:6])[CH2:38][CH2:37]1.[C:2]1([C:36]([O:9][O:8][C:35]([C:3]2=[CH:23][CH:33]=[CH:30][CH:34]=[CH:24]2)=[O:26])=[O:27])=[CH:21][CH:31]=[CH:29][CH:32]=[CH:22]1>>[CH:1](=[CH:19][CH:4]([CH2:15][C...
[CH1][=Fork2][1][2][=CH1][-CH2][-Fork1][2][-CH2][-CH2][-CH3][0-Br][-0N][-C][=Fork1][0][=O][-CH2][-CH2][-C][-Link1][4][=O][-CH3]
[N+](=O)([O-])C1=CC=C(C=C1)C>BrBr.[Fe]>BrC1=C(C=CC(=C1)[N+](=O)[O-])C
[Br:9][Br:10].[CH3:1][C:13]1=[CH:11][CH:3]=[C:2]([N+:5](=[O:7])[O-:8])[CH:4]=[CH:12]1.[Fe:6]>>[CH3:1][C:13]1=[CH:11][CH:3]=[C:2]([N+:5](=[O:7])[O-:8])[CH:4]=[C:12]1[Br:9]
[Br][-0Fork1][0][-0Br][0-CH1][=CH1][-C][=Fork1][5][=CH1][-CH1][=C][-Link1][4][-CH3][-N+1][=Fork1][0][=O][-O-1]
ClCC=C(C)Cl>O.C([O-])([O-])=O.[Na+].[Na+]>ClC(=CCO)C
[CH2:1]([Cl:2])[CH:5]=[C:13]([Cl:4])[CH3:6].[Na+:7].[Na+:8].[O:3]=[C:12]([O-:9])[O-:10].[OH2:11]>>[CH2:1]([CH:5]=[C:13]([Cl:4])[CH3:6])[OH:11]
[CH2][-0Fork1][0][-0Cl][-Fork1][5][-CH1][=C][-Fork1][0][-Cl][-CH3][0-OH2]
C1(=O)OCC2=CC=CC=C12>BrN1C(CCC1=O)=O.C(Cl)(Cl)(Cl)Cl>BrC1OC(=O)C2=CC=CC=C12
[Cl:3][C:12]([Cl:4])([Cl:5])[Cl:6].[O:1]=[C:9]1[N:14]([Br:8])[C:10](=[O:2])[CH2:21][CH2:20]1.[C:7]12=[CH:11][CH:15]=[CH:16][CH:22]=[C:19]1[CH2:13][O:18][C:23]2=[O:17]>>[C:7]12=[CH:11][CH:15]=[CH:16][CH:22]=[C:19]1[CH:13]([Br:8])[O:18][C:23]2=[O:17]
[O][=C][-N][-0Fork2][1][0][-0Br][0-CH2][-O][-C][-Fork1][9][-C][=CH1][-CH1][=CH1][-CH1][=C][-Link1][7][-Link1][4][=O][-C][=Fork1][0][=O][-CH2][-CH2][-Link1][f]
C1=CC=C2C=CC3=CC=CC4=CC=C1C2=C34>BrBr.C(Cl)(Cl)(Cl)Cl>BrC=1C=CC2=CC=C3C=CC=C4C=CC1C2=C43
[Br:22][Br:23].[Cl:9][C:17]([Cl:10])([Cl:11])[Cl:12].[CH:1]1=[CH:18][C:4]2=[C:8]3[C:6](=[CH:19]1)[CH:15]=[CH:16][C:5]1=[C:7]3[C:3](=[CH:20][CH:2]=[CH:21]1)[CH:13]=[CH:14]2>>[CH:1]1=[CH:18][C:4]2=[CH:14][CH:13]=[C:3]([Br:22])[C:7]3=[CH:2][CH:21]=[C:5]4[C:6](=[C:8]23)[C:19]1=[CH:20][CH:15]=[CH:16]4
[Br][0-Fork2][2][5][0-C][-C][0=CH1][-0CH1][=0Link1][2][0-CH1][-0C][0-Fork1][a][0-C][-Fork1][2][-CH1][=Link1][2][=0Link1][4][-=CH1][=-Link1][5][-=C][-Link1][7][=-C][-=Fork1][3][-=CH1][=-CH1][-=Link1][b][-CH1][=CH1][-CH1][0=Link1][b][=-Link1][9][-0Br]
C(#N)CC(=O)O>C(C)OCC.P(Cl)(Cl)(Cl)(Cl)Cl>C(#N)CC(=O)Cl
[CH2:7]([O:13][CH2:8][CH3:15])[CH3:14].[Cl:2][P:12]([Cl:3])([Cl:4])([Cl:5])[Cl:6].[O:1]=[C:9]([OH:10])[CH2:11][C:17]#[N:16]>>[O:1]=[C:9]([Cl:2])[CH2:11][C:17]#[N:16]
[Cl][0-Fork1][9][0-C][=Fork1][0][=O][-0Fork1][0][-0OH1][-CH2][-C][#N][-0P][-Fork1][0][-Cl][-Fork1][0][-Cl][-Fork1][0][-Cl][-Cl]
C(#N)CC(=O)Cl.C(C)(C)(C)O>C(C)OCC.CN(C1=CC=CC=C1)C>C(#N)CC(=O)OC(C)(C)C
[CH2:12]([O:19][CH2:13][CH3:21])[CH3:20].[CH3:2][C:15]([CH3:3])([CH3:4])[OH:16].[Cl:1][C:25]([CH2:8][C:14]#[N:22])=[O:18].[CH:5]1=[CH:17][CH:6]=[CH:24][C:9]([N:7]([CH3:10])[CH3:11])=[CH:23]1>>[CH3:2][C:15]([CH3:3])([CH3:4])[O:16][C:25]([CH2:8][C:14]#[N:22])=[O:18]
[Cl][-0C][-Fork1][2][-CH2][-C][#N][0-Fork1][8][0-OH1][-C][-Fork1][0][-CH3][-Fork1][0][-CH3][-CH3][=O]
C1(CCCCCCC1)=O.C(OCC)(OCC)=O>C1=CC=CC=C1.[H-].[Na+]>O=C1C(CCCCCC1)C(=O)OCC
[CH2:4]1[C:8](=[O:6])[CH2:5][CH2:23][CH2:20][CH2:17][CH2:19][CH2:22]1.[H-:18].[Na+:7].[O:1]([C:21]([O:2][CH2:25][CH3:16])=[O:3])[CH2:24][CH3:15].[CH:9]1=[CH:10][CH:11]=[CH:12][CH:13]=[CH:14]1>>[O:1]([C:21](=[O:3])[CH:4]1[C:8](=[O:6])[CH2:5][CH2:23][CH2:20][CH2:17][CH2:19][CH2:22]1)[CH2:24][CH3:15]
[CH2][-Fork1][b][-C][-Fork1][7][-CH2][-CH2][-CH2][-CH2][-CH2][-CH2][-Link1][6][=O][0-C][-Fork1][2][-O][-CH2][-CH3][-0Fork1][2][-0O][-CH2][-CH3][=O]
ClC1=CC=C(C=C1)OC>P(Cl)(Cl)(Cl)(Cl)Cl>ClC1=CC=C(OCCl)C=C1
[Cl:3][P:9]([Cl:4])([Cl:5])([Cl:6])[Cl:7].[CH:1]1=[C:8]([O:15][CH3:10])[CH:2]=[CH:12][C:13]([Cl:14])=[CH:11]1>>[CH:1]1=[C:8]([O:15][CH2:10][Cl:3])[CH:2]=[CH:12][C:13]([Cl:14])=[CH:11]1
[Cl][-0Fork1][a][-0P][-Fork1][0][-Cl][-Fork1][0][-Cl][-Fork1][0][-Cl][-Cl][0-CH3][-O][-C][=CH1][-CH1][=C][-Fork1][3][-CH1][=CH1][-Link1][4][-Cl]
BrC1C(CCCC1)Br>C(C)(C)O.[H-].[Na+].COCCOCCOCCOC>C1=CC=CCC1
[CH2:1]([O:12][CH2:21][CH2:22][O:13][CH2:2][CH2:24][O:26][CH3:20])[CH2:23][O:25][CH3:19].[CH2:4]1[CH:8]([Br:15])[CH:7]([Br:14])[CH2:5][CH2:10][CH2:9]1.[H-:18].[Na+:11].[OH:3][CH:6]([CH3:16])[CH3:17]>>[CH:4]1=[CH:9][CH2:10][CH2:5][CH:7]=[CH:8]1
[CH2][-CH1][-=Fork1][8][-=CH1][-Fork1][4][-CH2][-CH2][-CH2][-=Link1][4][-0Br][-0Br]
FC1=CC=C(C(=O)C2=CC=C(C=C2)F)C=C1.[N+](#[C-])CC(=O)OCC>C1(=CC=CC=C1)C.CC(C)(C)[O-].[K+]>FC1=CC=C(C=C1)C(=C(C(=O)OCC)NC=O)C1=CC=C(C=C1)F
[C-:9]#[N+:27][CH2:10][C:26]([O:16][CH2:30][CH3:28])=[O:31].[C:3]([C:7]1=[CH:32][CH:21]=[C:19]([F:36])[CH:22]=[CH:33]1)([C:8]1=[CH:34][CH:23]=[C:20]([F:37])[CH:24]=[CH:35]1)=[O:29].[CH3:4][C:11]([CH3:5])([CH3:6])[O-:15].[K+:12].[C:1]1([CH3:2])=[CH:13][CH:17]=[CH:25][CH:18]=[CH:14]1>>[C:3]([C:7]1=[CH:32][CH:21]=[C:19]([...
[C-1][#-N+1][-CH2][0=Fork2][1][e][0=C][-Fork1][a][-C][=CH1][-CH1][=C][-Fork1][3][-CH1][=CH1][-Link1][4][-F][-Fork1][a][-C][=CH1][-CH1][=C][-Fork1][3][-CH1][=CH1][-Link1][4][-F][=0O][0=Link2][1][1][-C][-Fork1][2][-O][-CH2][-CH3][=O]
C(C)(=O)OC(C)=O.FC1=CC=C(C=C1)C(=C(C(=O)OCC)NC=O)C1=CC=C(C=C1)F>CCN(CC)CC>C(=C(C1=CC=C(C=C1)F)C2=CC=C(C=C2)F)(C(OCC)=O)N(C=O)C(C)=O
[CH2:4]([N:25]([CH2:5][CH3:32])[CH2:6][CH3:33])[CH3:31].[O:1]=[C:10]([CH3:8])[O:24][C:11](=[O:2])[CH3:9].[O:3]=[CH:12][NH:38][C:7](=[C:23]([C:27]1=[CH:34][CH:16]=[C:14]([F:29])[CH:17]=[CH:35]1)[C:28]1=[CH:36][CH:18]=[C:15]([F:30])[CH:19]=[CH:37]1)[C:26]([O:13][CH2:21][CH3:22])=[O:20]>>[O:1]=[C:10]([CH3:8])[N:38]([C:7](...
[O][=C][-Fork1][0][-CH3][-0Fork1][5][-0O][-C][=Fork1][0][=O][-CH3][0-NH1][-Fork2][2][3][-C][=Fork2][1][8][=C][-Fork1][a][-C][=CH1][-CH1][=C][-Fork1][3][-CH1][=CH1][-Link1][4][-F][-C][=CH1][-CH1][=C][-Fork1][3][-CH1][=CH1][-Link1][4][-F][-C][-Fork1][2][-O][-CH2][-CH3][=O][-CH1][=O]
C(=C(C1=CC=C(C=C1)F)C2=CC=C(C=C2)F)(C(OCC)=O)N(C=O)C(C)=O>CCO[H]>C(C)OC(C(=C(C1=CC=C(C=C1)F)C1=CC=C(C=C1)F)NC(C)=O)=O
[C:1]([O:6][CH2:22][CH3:23])([C:15]([N:3]([C:5](=[O:9])[CH3:14])[CH:20]=[O:4])=[C:21]([C:10]1=[CH:27][CH:16]=[C:12]([F:25])[CH:17]=[CH:28]1)[C:11]1=[CH:29][CH:18]=[C:13]([F:26])[CH:19]=[CH:30]1)=[O:24].[OH:2][CH2:8][CH3:7]>>[C:1]([O:6][CH2:22][CH3:23])([C:15]([NH:3][C:5](=[O:9])[CH3:14])=[C:21]([C:10]1=[CH:27][CH:16]=[...
[C][-Fork1][2][-O][-CH2][-CH3][-Fork2][2][5][-C][-Fork1][9][-N][-Fork1][4][-C][=Fork1][0][=O][-CH3][-0CH1][=O][=C][-Fork1][a][-C][=CH1][-CH1][=C][-Fork1][3][-CH1][=CH1][-Link1][4][-F][-C][=CH1][-CH1][=C][-Fork1][3][-CH1][=CH1][-Link1][4][-F][=O]
N1=C(C=CC=C1)C1=NC=CC=C1>ClCCl.ClC=1C=C(C(=O)OO)C=CC1>[N+]=1(C(=CC=CC1)C1=NC=CC=C1)[O-]
[CH2:14]([Cl:17])[Cl:18].[O:3]([C:4](=[O:10])[C:26]1=[CH:7][CH:19]=[CH:22][C:25]([Cl:11])=[CH:23]1)[OH:24].[CH:1]1=[CH:5][CH:8]=[N:20][C:15]([C:16]2=[CH:13][CH:2]=[CH:6][CH:9]=[N:21]2)=[CH:12]1>>[CH:1]1=[CH:5][CH:8]=[N+:20]([O-:24])[C:15]([C:16]2=[CH:13][CH:2]=[CH:6][CH:9]=[N:21]2)=[CH:12]1
[O][-Fork1][e][-C][=Fork1][0][=O][-C][=CH1][-CH1][=CH1][-C][-Fork1][0][-Cl][=CH1][-Link1][5][-0OH1][0-N][=CH1][-CH1][=CH1][-CH1][=C][-Link1][4][-C][=CH1][-CH1][=CH1][-CH1][=N][-Link1][4]
[N+]=1(C(=CC=CC1)C1=NC=CC=C1)[O-]>S(O)(O)(=O)=O.[N+](=O)(O)[O-]>[N+](=O)([O-])C=1C=C([N+](=CC1)[O-])C1=NC=CC=C1
[N+:2]([O-:8])(=[O:12])[OH:19].[O:4]=[S:17](=[O:5])([OH:13])[OH:14].[CH:1]1=[CH:6][CH:7]=[N:3][C:11]([C:22]2=[CH:15][CH:16]=[CH:9][CH:10]=[N+:18]2[O-:20])=[CH:21]1>>[CH:1]1=[CH:6][CH:7]=[N:3][C:11]([C:22]2=[CH:15][C:16]([N+:2]([O-:8])=[O:12])=[CH:9][CH:10]=[N+:18]2[O-:20])=[CH:21]1
[N+1][-Fork1][0][-O-1][=Fork1][0][=O][0-Fork2][1][4][0-CH1][=CH1][-CH1][=N+1][-Fork1][0][-O-1][-C][-Fork1][7][-C][-N][=CH1][-CH1][=CH1][-CH1][=Link1][4][=CH1][-Link1][b][-0OH1]
[N+](=O)([O-])C=1C=C([N+](=CC1)[O-])C1=NC=CC=C1>CO[H].C[O-].[Na+]>COC=1C=C([N+](=CC1)[O-])C1=NC=CC=C1
[Na+:10].[O-:4][CH3:8].[OH:7][CH3:17].[CH:1]1=[CH:5][CH:6]=[N:2][C:18]([C:9]2=[CH:13][C:12]([N+:14](=[O:11])[O-:15])=[CH:3][CH:19]=[N+:16]2[O-:20])=[CH:21]1>>[CH:1]1=[CH:5][CH:6]=[N:2][C:18]([C:9]2=[CH:13][C:12]([O:7][CH3:17])=[CH:3][CH:19]=[N+:16]2[O-:20])=[CH:21]1
[OH1][0-Fork2][1][c][0-C][=Fork2][1][3][=CH1][-CH1][=N+1][-Fork1][d][-C][=Fork1][2][=CH1][-Link1][4][-C][-N][=CH1][-CH1][=CH1][-CH1][=Link1][4][-O-1][-0N+1][=Fork1][0][=O][-O-1][-CH3]
C(C)(C)N(C(=O)C1=C(C(=CC(=N1)C1=NC=CC=C1)OC)SC)C(C)C>C1CCCO1.CC(C)C[AlH]CC(C)C.CCCCCCC>COC1=CC(=NC(=C1SC)C=O)C1=NC=CC=C1
[CH3:15][CH2:27][CH2:43][CH2:29][CH2:44][CH2:28][CH3:16].[CH:2]([CH3:4])([CH3:5])[CH2:35][AlH:20][CH2:36][CH:3]([CH3:6])[CH3:7].[O:38]1[CH2:45][CH2:42][CH2:41][CH2:46]1.[CH:1]1=[CH:12][CH:14]=[N:31][C:33]([C:37]2=[N:9][C:26]([C:32]([N:13]([CH:10]([CH3:21])[CH3:22])[CH:11]([CH3:23])[CH3:24])=[O:30])=[C:34]([S:17][CH3:18...
[CH1][=CH1][-CH1][=N][-C][=Fork1][2][=CH1][-Link1][4][-C][=N][-C][-Fork2][1][0][-C][-0Fork1][c][-0N][-Fork1][4][-CH1][-Fork1][0][-CH3][-CH3][-CH1][-Fork1][0][-CH3][-CH3][=O][=C][-Fork1][7][-C][-Fork1][1][-O][-CH3][=CH1][-Link1][f][-S][-CH3]
COC(=O)C1C(N[C@@H](CC1)C)=O>[Na+].[BH4-].CCO[H].[Cl-].[Ca+2].[Cl-]>OCC1C(N[C@@H](CC1)C)=O
[BH4-:16].[CH:1]1([CH3:15])[CH2:6][CH2:11][CH:2]([C:20]([O:5][CH3:9])=[O:8])[C:17](=[O:3])[NH:14]1.[Ca+2:4].[Cl-:18].[Cl-:19].[Na+:13].[OH:7][CH2:12][CH3:10]>>[CH:1]1([CH3:15])[CH2:6][CH2:11][CH:2]([CH2:20][OH:8])[C:17](=[O:3])[NH:14]1
[CH1][-Fork2][1][1][-CH2][-CH2][-CH1][-Fork1][6][-C][=Fork1][0][=O][-NH1][-Link1][5][-C][-0Fork1][1][-0O][-CH3][=-O][-CH3]
C1=CC=CCC1>[Pd+2].[O-]C(=O)C.[O-]C(=O)C.C(C)(=O)O.[Cl-].[Li+].O.O.C(C)(=O)[O-].[Li+].C1(C=CC(C=C1)=O)=O>C(C)(=O)O[C@@H]1C=C[C@@H](CC1)Cl
[CH2:9]1[CH2:10][CH:28]=[CH:17][CH:16]=[CH:27]1.[CH:5]1=[CH:6][C:23](=[O:31])[CH:7]=[CH:8][C:22]1=[O:30].[Cl-:35].[Li+:20].[Li+:21].[O-:1][C:24]([CH3:12])=[O:32].[O-:2][C:25]([CH3:13])=[O:33].[O-:3][C:26]([CH3:14])=[O:34].[O:4]=[C:11]([CH3:15])[OH:36].[OH2:18].[OH2:19].[Pd+2:29]>>[O:4]=[C:11]([CH3:15])[O:36][CH:22]1[CH...
[Cl-1][0-C][-Fork2][1][1][-CH1][=CH1][-C][-Fork1][3][-CH1][=-CH1][-Link1][4][=0Fork1][0][=0O][0-OH1][-C][=Fork1][0][=O][-CH3][=0O]
BrC1=NC(=CC=C1)OC>CC1(OBOC1(C)C)C.C[O+]1[Ir-]2[O+](C)[Ir-]12.C3CC=CCCC=C3.C4CC=CCCC=C4.C(C)(C)(C)C1=CC(=NC=C1)C1=NC=CC(=C1)C(C)(C)C.CCCCCC.S(=O)(=O)(O[O-])[O-].[K+].[K+]>Oc1cc(OC)nc(Br)c1
[BH:1]1[O:68][C:6]([CH3:2])([CH3:3])[C:7]([CH3:4])([CH3:5])[O:69]1.[C:9]([CH3:29])([CH3:30])([CH3:31])[C:73]1=[CH:14][C:57]([C:58]2=[CH:13][C:74]([C:10]([CH3:32])([CH3:33])[CH3:34])=[CH:28][CH:44]=[N:41]2)=[N:40][CH:43]=[CH:27]1.[CH2:47]1[CH2:48][CH:61]=[CH:62][CH2:49][CH2:50][CH:59]=[CH:60]1.[CH2:51]1[CH2:52][CH:65]=[...
[CH1][-CH1][=Fork1][a][=CH1][-C][=Fork1][4][=N][-C][=Link1][4][-Br][-O][-CH3][0-O-1][-0O][-S][=Fork1][0][=O][=Fork1][0][=O][-O-1]
C1(=C(C(=NC(=C1Br)Br)OC)Br)O[H].C(OCC[Si](C)(C)C)Cl>ClCCl.c1ccncc1.C(C)(C)N(C(C)C)CC>C1(=C(C(=NC(=C1Br)Br)OC)Br)OCOCC[Si](C)(C)C
[CH2:15]([Cl:17])[Cl:18].[CH2:4]([CH3:6])[N:21]([CH:24]([CH3:30])[CH3:31])[CH:25]([CH3:32])[CH3:33].[Si:3]([CH3:12])([CH3:13])([CH3:14])[CH2:34][CH2:16][O:36][CH2:26][Cl:35].[C:1]1([Br:22])=[N:10][C:7]([O:19][CH3:2])=[C:8]([Br:39])[C:9]([OH:20])=[C:29]1[Br:11].[N:5]1=[CH:27][CH:37]=[CH:23][CH:38]=[CH:28]1>>[C:1]1([Br:2...
[Si][-Fork1][0][-CH3][-Fork1][0][-CH3][-Fork1][0][-CH3][-CH2][-CH2][-O][-CH2][0-Fork2][1][3][0-OH1][-C][-C][=Fork1][d][=C][-Fork1][8][-N][=C][-Fork1][0][-Br][-C][=Link1][5][-Br][-O][-CH3][-Br][-0Cl]
C(C=CC1=CC=CC=C1)(=O)O.C=CC(C=C)O>C1CCCO1.C1(=CC=NC=C1)N(C)C.C1(CCCCC1)N=C=NC1CCCCC1>C1=CC=CC=C1C=CC(=O)OC(C=C)C=C
[CH:13]([CH:21]=[CH2:19])([CH:22]=[CH2:20])[OH:30].[CH:18](=[CH:24][C:32]([OH:31])=[O:36])[C:28]1=[CH:25][CH:34]=[CH:23][CH:35]=[CH:26]1.[N:1]([CH:3]1[CH2:9][CH2:39][CH2:14][CH2:40][CH2:10]1)=[C:6]=[N:2][CH:4]1[CH2:11][CH2:41][CH2:15][CH2:42][CH2:12]1.[N:5]([CH3:16])([CH3:17])[C:27]1=[CH:7][CH:43]=[N:29][CH:44]=[CH:8]1...
[C][-Fork1][9][-CH1][=CH1][-C][=CH1][-CH1][=CH1][-CH1][=CH1][-Link1][4][0-Fork1][7][0-OH1][-CH1][-Fork1][1][-CH1][=CH2][-CH1][=CH2][-0Fork1][0][-0OH1][=O]
C=C[C@H](CCCCC)O>c1cnc[nH]1.ClCCl.C(C)(C)(C)[Si](C)(C)Cl>C(C)(C)(C)[Si](O[C@H](C=C)CCCCCC)(C)C
[CH2:1]([CH2:13][CH:23]([OH:6])[CH:10]=[CH2:8])[CH2:19][CH2:15][CH3:7].[CH2:9]([Cl:11])[Cl:12].[CH3:4][Si:24]([CH3:5])([Cl:16])[C:18]([CH3:20])([CH3:21])[CH3:22].[CH:2]1=[CH:14][N:25]=[CH:3][NH:17]1>>[CH2:1]([CH2:13][CH:23]([O:6][Si:24]([CH3:4])([CH3:5])[C:18]([CH3:20])([CH3:21])[CH3:22])[CH:10]=[CH2:8])[CH2:19][CH2:15...
[CH2][-Fork2][1][9][-CH2][-CH1][-Fork2][1][2][-OH1][0-Si][-Fork1][0][-CH3][-Fork1][0][-CH3][-0Fork1][0][-0Cl][-C][-Fork1][0][-CH3][-Fork1][0][-CH3][-CH3][-CH1][=CH2][-CH2][-CH2][-CH3][0-CH1][-0NH1][-CH1][=CH1][-N][=0Link1][3]
C(\C=C\C)=O.CC(=C)C=CC>C1CCNC1.C(CC)(=O)O.C=O>CC1C(CCC(=C1)C)(C=O)C=C
[CH2:3]1[CH2:4][CH2:11][NH:14][CH2:12]1.[CH:1](=[CH:8][C:2](=[CH2:5])[CH3:13])[CH3:16].[CH:9]([CH3:19])=[CH:21][CH:17]=[O:15].[O:10]=[CH2:23].[O:6]=[C:18]([OH:20])[CH2:22][CH3:7]>>[CH2:1]1[CH2:8][C:2]([CH3:13])=[CH:5][CH:9]([CH3:19])[C:16]1([CH:17]=[CH2:21])[CH:23]=[O:10]
[CH1][=-CH1][-C][=Fork2][1][2][=CH2][0-CH1][0-Fork1][d][0-CH3][0-Fork1][6][0-CH1][=0Fork1][0][=0O][-=CH1][=0Link1][3][-Link1][4][0-CH2][=O][-CH3][-CH3]
C1(=CC=CC=C1)N1CC2=CC=CC=C2CC1.[N+](=O)([O-])C>O(O[H])[H].II>[N+](=O)([O-])CC1N(CCC2=CC=CC=C12)C1=CC=CC=C1
[CH2:1]1[CH2:2][C:11]2=[C:5]([CH:7]=[CH:14][CH:15]=[CH:19]2)[CH2:18][N:8]1[C:24]1=[CH:22][CH:9]=[CH:13][CH:10]=[CH:23]1.[I:3][I:4].[N+:6](=[O:12])([CH3:20])[O-:21].[OH:16][OH:17]>>[CH2:1]1[CH2:2][C:11]2=[C:5]([CH:7]=[CH:14][CH:15]=[CH:19]2)[CH:18]([CH2:20][N+:6](=[O:12])[O-:21])[N:8]1[C:24]1=[CH:22][CH:9]=[CH:13][CH:10...
[CH2][-CH2][-C][=C][-Fork1][5][-CH1][=CH1][-CH1][=CH1][-Link1][4][-CH2][-Fork1][a][-N][-Link1][8][-C][=CH1][-CH1][=CH1][-CH1][=CH1][-Link1][4][0-CH3][-N+1][=Fork1][0][=O][-O-1]
C1(=CC=CC=C1)N1CC2=CC=CC=C2CC1>O(O[H])[H].II.C(C)(=O)O>C1(=CC=CC=C1)N1C(C2=CC=CC=C2CC1)CC(C)=O
[CH2:1]1[CH2:2][C:11]2=[C:5]([CH:7]=[CH:15][CH:16]=[CH:20]2)[CH2:19][N:8]1[C:24]1=[CH:22][CH:9]=[CH:14][CH:10]=[CH:23]1.[I:3][I:4].[O:6]=[C:12]([CH3:13])[OH:21].[OH:17][OH:18]>>[CH2:1]1[CH2:2][C:11]2=[C:5]([CH:7]=[CH:15][CH:16]=[CH:20]2)[CH:19]([CH2:14][C:12](=[O:6])[CH3:13])[N:8]1[C:24]1=[CH:22][CH:9]=[CH:18][CH:10]=[...
[CH2][-CH2][-C][=C][-Fork1][5][-CH1][=CH1][-CH1][=CH1][-Link1][4][-CH2][-N][-Link1][8][-C][=CH1][-CH1][=0CH1][-0Fork1][9][-0CH1][0-Fork1][3][0-OH1][0=Link1][2][-0OH1][=CH1][-Link1][6][0-Link1][4][0-C][=Fork1][0][=O][-Fork1][0][-CH3][-0OH1]
BrCC(=O)Br.C1(=CC=CC=C1)N=C=S>ClCCl.C(C)(C)N>C(C)(C)\N=C\1/SCC(N1C1=CC=CC=C1)=O
[C:1](=[O:4])([CH2:18][Br:20])[Br:21].[C:5](=[N:17][C:10]1=[CH:6][CH:8]=[CH:16][CH:9]=[CH:7]1)=[S:19].[CH2:11]([Cl:12])[Cl:13].[CH3:2][CH:15]([CH3:3])[NH2:14]>>[C:1]1(=[O:4])[N:17]([C:10]2=[CH:6][CH:8]=[CH:16][CH:9]=[CH:7]2)[C:5](=[N:14][CH:15]([CH3:2])[CH3:3])[S:19][CH2:18]1
[C][=Fork1][0][=O][0-Fork2][1][8][0-N][=-Fork1][d][=-C][0=Fork1][5][0=NH2][-CH1][-Fork1][0][-CH3][-CH3][=-S][0-CH2][-Link1][8][-0Br][-C][=CH1][-CH1][=CH1][-CH1][=CH1][-Link1][4][-0Br]
FC1=C(C(=O)Cl)C=CC(=C1)OC.CS(=O)(=O)C>C1CCCO1.C[Li]>FC1=C(C=CC(=C1)OC)C(CS(=O)(=O)C)=O
[CH3:4][Li:9].[O:12]1[CH2:23][CH2:20][CH2:19][CH2:24]1.[S:6](=[O:10])(=[O:11])([CH3:21])[CH3:22].[C:1]1([O:15][CH3:14])=[CH:5][C:3]([F:13])=[C:7]([C:17](=[O:2])[Cl:16])[CH:8]=[CH:18]1>>[C:1]1([O:15][CH3:14])=[CH:5][C:3]([F:13])=[C:7]([C:17](=[O:2])[CH2:21][S:6](=[O:10])(=[O:11])[CH3:22])[CH:8]=[CH:18]1
[S][=Fork1][0][=O][=Fork1][0][=O][-Fork2][1][6][-CH3][0-C][=Fork1][0][=O][-Fork1][e][-C][=C][-Fork1][9][-CH1][=C][-Fork1][1][-O][-CH3][-CH1][=CH1][-Link1][6][-F][-0Cl][-CH3]
C(C)(=O)N1CCCCC1>[HH].COCCOC.[Pd].C(C)(C)(C)P(C(C)(C)C)C(C)(C)C.C(C)(C)(C)P(C(C)(C)C)C(C)(C)C>C(C)N1CCCCC1
[CH3:34][O:41][CH2:38][CH2:39][O:42][CH3:35].[HH:33].[N:1]1([C:40](=[O:6])[CH3:43])[CH2:36][CH2:2][CH2:4][CH2:3][CH2:37]1.[P:7]([C:27]([CH3:9])([CH3:10])[CH3:11])([C:28]([CH3:12])([CH3:13])[CH3:14])[C:29]([CH3:15])([CH3:16])[CH3:17].[P:8]([C:30]([CH3:18])([CH3:19])[CH3:20])([C:31]([CH3:21])([CH3:22])[CH3:23])[C:32]([CH...
[N][-Fork1][6][-CH2][-CH2][-CH2][-CH2][-CH2][-Link1][4][-C][=0Fork1][0][=0O][-CH3]
BrC1=CC=CC=C1.C=CC1=CC=CC=C1>CN(C(C)=O)C.[Cl-].C(CCC)[N+](CCCC)(CCCC)CCCC.C1(CCCCC1)CNCC1CCCCC1.[Pd].C(C)(C)(C)P(C(C)(C)C)C(C)(C)C.C(C)(C)(C)P(C(C)(C)C)C(C)(C)C>C1(=CC=CC=C1)\C=C\C1=CC=CC=C1
[CH2:2]([CH2:24][N+:23]([CH2:25][CH2:3][CH2:41][CH3:18])([CH2:26][CH2:4][CH2:42][CH3:19])[CH2:27][CH2:5][CH2:43][CH3:20])[CH2:40][CH3:17].[CH2:8]1[CH:15]([CH2:21][NH:33][CH2:22][CH:16]2[CH2:9][CH2:78][CH2:30][CH2:79][CH2:10]2)[CH2:11][CH2:80][CH2:29][CH2:77]1.[CH3:1][C:7]([N:28]([CH3:46])[CH3:47])=[O:48].[Cl-:76].[P:35...
[CH1][-C][=Fork1][5][=CH1][-CH1][=CH1][-CH1][=Link1][4][-0Fork1][0][-0Br][0-CH2][=CH1][-C][=CH1][-CH1][=CH1][-CH1][=CH1][-Link1][4]
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MappedCRD — Mapped Chemical Reactions Database

This dataset is a processed version of the Chemical Reactions Database (CRD) (Zenodo), providing atom-mapped reaction SMILES and imaginary transition state (ITS) graph encodings for large-scale cheminformatics and machine-learning use.

Dataset Description

The CRD is a curated collection of chemical reactions. This dataset distributes two subsets derived from it:

Subset Examples Description
rxnmapper 1,446,478 Full reaction SMILES mapped with RXNMapper
its 1,405,109 Reactions encoded as imaginary transition state (ITS) graphs using graphies and SynKit
its-nomod 1,405,109 ITS graphies without charge and hydrogen modifiers

Subsets

rxnmapper

Atom-mapped reactions produced by RXNMapper. Each row contains:

Column Type Description
reaction string Original reaction SMILES (unmapped)
mapped_reaction string Atom-mapped reaction SMILES
confidence float64 RXNMapper confidence score (0–1)

its

Reactions that were successfully processed into ITS graphs and encoded with graphies. Each row contains:

Column Type Description
original_rsmi string Original reaction SMILES
mapped_rxn string Atom-mapped reaction SMILES
its_graphies string graphies-encoded ITS graph string

The ITS (imaginary transition state) representation encodes both reactant and product bond changes in a single molecular graph, enabling direct graph-based learning on reaction data.

Usage 

from datasets import load_dataset

# Atom-mapped reactions
ds_mapped = load_dataset("lukasmki/MappedCRD", name="rxnmapper", split="train")

# ITS graph encodings
ds_its = load_dataset("lukasmki/MappedCRD", name="its", split="train")

# ITS graph encodings without charge/hydrogens
ds_its = load_dataset("lukasmki/MappedCRD", name="its-nomod", split="train")

Source Data

Tools

Citation

If you use this dataset, please cite the original CRD:

@misc{crd,
  doi = {10.5281/ZENODO.18109268},
  url = {https://zenodo.org/doi/10.5281/zenodo.18109268},
  author = {van der Lingen,  Rik},
  language = {en},
  title = {Organic reaction SMILES 1.44M dataset},
  publisher = {Zenodo},
  year = {2025},
  copyright = {Creative Commons Attribution 4.0 International}
}
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