smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
C(OC1=C(C=C(C=C1)F)C)(OC)=O>O.S(O)(O)(=O)=O.[N+](=O)([O-])[O-].[K+]>C(OC1=C(C=C(C(=C1)[N+](=O)[O-])F)C)(OC)=O | 3 |
ClC1=C(C(=CC(=C1)N)Cl)O.ClC1=C(C=CC(=C1)C(F)(F)F)S(=O)(=O)Cl>>ClC1=C(C=CC(=C1)C(F)(F)F)S(=O)(=O)NC1=CC(=C(C(=C1)Cl)O)Cl | 5 |
ClC1=CC(=C2C=CN(C2=C1Cl)COCC[Si](C)(C)C)OCC>C1CCCO1.[F-].C(CCC)[N+](CCCC)(CCCC)CCCC.[Cl-].[NH4+].C(CN)N>ClC1=CC(=C2C=CNC2=C1Cl)OCC | 3 |
[F:1][C:2]1[CH:3]=[CH:4][C:5]2[C:9]([N:10]3[CH2:15][CH2:14][N:13]([CH2:16][CH2:17][CH2:18][CH2:19][NH2:20])[CH2:12][CH2:11]3)=[CH:8][S:7][C:6]=2[CH:21]=1.C(N(CC)CC)C.[C:29](Cl)(=[O:33])[CH:30]([CH3:32])[CH3:31]>ClCCl>[F:1][C:2]1[CH:3]=[CH:4][C:5]2[C:9]([N:10]3[CH2:15][CH2:14][N:13]([CH2:16][CH2:17][CH2:18][CH2:19][NH:2... | 1 |
[Cl:1][C:2]1[C:10]2[C:6](=[C:7]([C:16]3[CH:21]=[CH:20][C:19]([O:22]C)=[CH:18][CH:17]=3)[N:8]([CH2:11][CH2:12][CH2:13][CH2:14][CH3:15])[N:9]=2)[CH:5]=[CH:4][CH:3]=1.B(Br)(Br)Br.C1CCCCC=1>>[Cl:1][C:2]1[C:10]2[C:6](=[C:7]([C:16]3[CH:17]=[CH:18][C:19]([OH:22])=[CH:20][CH:21]=3)[N:8]([CH2:11][CH2:12][CH2:13][CH2:14][CH3:15]... | 1 |
[Li][CH2:2]CCC.C(NC(C)C)(C)C.[CH3:13][O:14][C:15](=[O:26])[CH2:16][C:17]1[CH:25]=[CH:24][C:20]2[N:21]=[CH:22][S:23][C:19]=2[CH:18]=1.CN(C)P(N(C)C)(N(C)C)=O.CI>O1CCCC1.[NH4+].[Cl-]>[CH3:13][O:14][C:15](=[O:26])[CH:16]([C:17]1[CH:25]=[CH:24][C:20]2[N:21]=[CH:22][S:23][C:19]=2[CH:18]=1)[CH3:2] | 1 |
CN1N=C(N=N1)COCC(=C)C>O.C1CCCO1.O.O.[O-][Os](=O)(=O)[O-].[K+].[K+].I(=O)(=O)(=O)[O-].[Na+]>CN1N=C(N=N1)COCC(C)=O | 3 |
BrC=1SC(=CN1)C=O.CC1=CC=C(C=N1)B(O)O>>CC1=CC=C(C=N1)C=1SC(=CN1)C=O | 5 |
[CH3:1][C:2]1([CH3:10])[O:9][C:7](=[O:8])[CH2:6][C:4](=[O:5])[O:3]1.N1C=CC=CC=1.[CH3:17][O:18][CH2:19][C:20](Cl)=[O:21]>ClCCl>[CH3:17][O:18][CH2:19][C:20]([CH:6]1[C:7](=[O:8])[O:9][C:2]([CH3:10])([CH3:1])[O:3][C:4]1=[O:5])=[O:21] | 1 |
C(OCC[Si](C)(C)C)Cl.N1N=C(C2=CC=CC=C12)C=O>>C[Si](CCOCN1N=C(C2=CC=CC=C12)C=O)(C)C | 5 |
COC1=CC=C(C=C1)S.ClC1=NC=CC(=N1)C1=CC2=C(N=C(S2)NC(C)=O)C=C1>N(C)(C)C=O.[H-].[Na+]>COC1=CC=C(C=C1)SC1=NC=CC(=N1)C1=CC2=C(N=C(S2)NC(C)=O)C=C1 | 3 |
Br[C:2]1[CH:3]([C:14]2[CH:19]=[CH:18][C:17]([O:20][CH2:21][CH2:22][N:23]3[CH2:26][CH:25]([CH2:27][F:28])[CH2:24]3)=[CH:16][CH:15]=2)[O:4][C:5]2[C:10]([C:11]=1[CH3:12])=[CH:9][C:8]([OH:13])=[CH:7][CH:6]=2.[C:29]([NH:32][C:33]1[CH:38]=[CH:37][C:36](B(O)O)=[CH:35][CH:34]=1)(=[O:31])[CH3:30]>>[F:28][CH2:27][CH:25]1[CH2:24]... | 2 |
[C:1]([O-:13])(=[O:12])[CH2:2][C:3]([CH2:8][C:9]([O-:11])=[O:10])([C:5]([O-:7])=[O:6])[OH:4].[Na+].[Na+].[Na+].C(O)(=O)CC(CC(O)=O)(C(O)=O)O.[O:30]=[CH:31][C@@H:32]([C@H:34]([C@@H:36]([C@@H:38]([CH2:40][OH:41])[OH:39])[OH:37])[OH:35])[OH:33]>O>[C:1]([OH:13])(=[O:12])[CH2:2][C:3]([CH2:8][C:9]([OH:11])=[O:10])([C:5]([OH:7... | 2 |
[CH3:1][N:2]([CH3:21])[CH2:3][CH2:4][NH:5][C:6]1[N:7]=[N+:8]([O-:20])[C:9]2[CH:18]=[C:17]3[C:13]([CH2:14][CH:15]([CH3:19])[CH2:16]3)=[CH:12][C:10]=2[N:11]=1.C[OH:23].C(Cl)Cl>>[CH3:21][N:2]([CH3:1])[CH2:3][CH2:4][NH:5][C:6]1[N:7]=[N+:8]([O-:20])[C:9]2[CH:18]=[C:17]3[C:13]([CH2:14][CH:15]([CH3:19])[CH2:16]3)=[CH:12][C:10... | 1 |
C(C)(=O)OC(C)=O.C(C1=CC=CC=C1)OC=1C=CC(=C(C(=O)N)C1)OC>[N+](=O)(O)[O-]>C(C1=CC=CC=C1)OC=1C(=C(C(=O)N)C(=CC1)OC)[N+](=O)[O-] | 3 |
FC=1C=C(C=C(C1)C(F)(F)F)S(=O)(=O)Cl.C(C)(C)(C)OC(COC1=CC=CC2=C1CCCCC2N)=O>>C(C)(C)(C)OC(COC1=CC=CC2=C1CCCCC2NS(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)F)=O | 5 |
BrCC(=O)C1=CC=C(C=C1)OCCCN(CC)CC.C1(=CC=C(C=C1)OC1=CC=C(N)C=C1)C1=CC=CC=C1>>C1(=CC=C(C=C1)OC1=CC=C(C=C1)N1C(=NC(=C1)C1=CC=C(OCCCN(CC)CC)C=C1)CCCC)C1=CC=CC=C1 | 5 |
C(C)(C)(C)OC(=O)NC1=CC=C(C=N1)CC(=O)OCC>>OCCC=1C=CC(=NC1)NC(OC(C)(C)C)=O | 5 |
C(C)C1=CC=C(C(=O)O)C=C1>S(O)(O)(=O)=O.[N+](=O)(O)[O-]>[N+](=O)([O-])C=1C=C(C(=O)O)C=CC1CC | 3 |
[Br:1][C:2]1[CH:7]=[CH:6][C:5]([CH2:8][N:9]2[C:18](=[O:19])[C:17]3[C:12](=[CH:13][CH:14]=[C:15]([C:20]([OH:23])([CH3:22])[CH3:21])[CH:16]=3)[N:11]=[C:10]2[CH2:24][CH2:25][CH2:26][CH3:27])=[CH:4][CH:3]=1.[Si:28](Cl)([C:31]([CH3:34])([CH3:33])[CH3:32])([CH3:30])[CH3:29].N1C=CN=C1>CN(C=O)C.O>[Br:1][C:2]1[CH:3]=[CH:4][C:5]... | 1 |
OCCCC/C=C/C1=CC=C(C(=O)OC)C=C1>>OCCCCCCC1=CC=C(C(=O)OC)C=C1 | 5 |
C(CC)C1=CC(=NC=C1)N.C(C)(C)(C)OC(=O)N1C[C@H](CC1)NC1=NN(C2=NC=CC(=C21)OC2=CC=C(C(=O)O)C=C2)CC2=CC=C(C=C2)OC>>COC1=CC=C(CN2N=C(C=3C2=NC=CC3OC3=CC=C(C=C3)C(NC3=NC=CC(=C3)CCC)=O)N[C@@H]3CN(CC3)C(=O)OC(C)(C)C)C=C1 | 5 |
COC(=O)C1=CC2=C(SC3=C(C(=N2)Cl)C=CC=C3)C=C1>>COC(=O)C1=CC2=C(SC3=C(C(=N2)CCCC)C=CC=C3)C=C1 | 5 |
N1C[C@H](CC1)O.C(C)(C)(C)C1=NC(=C2N=CN(C2=N1)CC1=NN=NN1C1CC1)Cl>>C(C)(C)(C)C1=NC(=C2N=CN(C2=N1)CC1=NN=NN1C1CC1)N1C[C@H](CC1)O | 5 |
BrC1=CC(=C(CBr)C=C1F)F.ClC1=CC=C(S1)S(=O)(=O)N[C@@H](C(=O)N)CC1CC1>>BrC1=CC(=C(CN(S(=O)(=O)C=2SC(=CC2)Cl)[C@@H](C(=O)N)CC2CC2)C=C1F)F | 5 |
[CH3:1][C:2]1[C:6]([C:7]2[CH:19]=[N:18][C:17]3[C:16]4[CH:15]=[CH:14][C:13]([C:20]([O:22]C)=[O:21])=[CH:12][C:11]=4[N:10]([CH:24]([C:31]4[CH:36]=[CH:35][CH:34]=[CH:33][CH:32]=4)[CH:25]4[CH2:30][CH2:29][O:28][CH2:27][CH2:26]4)[C:9]=3[CH:8]=2)=[C:5]([CH3:37])[O:4][N:3]=1.[OH-].[Na+].C(O)(=O)CC(CC(O)=O)(C(O)=O)O>CO>[CH3:37... | 2 |
C(C)OC(=C)[Sn](CCCC)(CCCC)CCCC.BrC1=CC(=C(C=C1F)S(=O)(=O)N(C1=NC=NS1)CC1=C(C=C(C=C1)OC)OC)F>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].O1CCOCC1>COC1=C(CN(S(=O)(=O)C2=C(C=C(C(=C2)F)C(=C)OCC)F)C2=NC=NS2)C=CC(=C1)OC | 3 |
CC=1NC(=C(C(C1C(=O)OCC)C1=C(C=CC=C1)[N+](=O)[O-])C(=O)OCC)C(OCC)OCC>Cl.CC(=O)C>CC=1NC(=C(C(C1C(=O)OCC)C1=C(C=CC=C1)[N+](=O)[O-])C(=O)OCC)C=O | 3 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.Cl.C(C1=CC=CC=C1)N1[C@H](COCC1)CO>[OH-].[Na+].[HH].C(C)(=O)OCC>C(C)(C)(C)OC(=O)N1[C@@H](COCC1)CO | 3 |
OC1CN(C2(CCC2)C1)C(=O)OC(C)(C)C>ClCCl.C(C)(=O)OI1(OC(C2=C1C=CC=C2)=O)(OC(C)=O)OC(C)=O>O=C1CN(C2(CCC2)C1)C(=O)OC(C)(C)C | 3 |
[CH:1]1[C:11]2[CH2:10][CH2:9][C:8]3[CH:12]=[CH:13][CH:14]=[CH:15][C:7]=3[C:6](=[N:16][O:17][CH2:18][CH2:19]Br)[C:5]=2[CH:4]=[CH:3][CH:2]=1.C(=O)([O-])[O-].[K+].[K+].C(C(C(C(O)=O)O)O)(O)=O.[NH:37]1[CH2:42][CH2:41][CH2:40][C@@H:39]([C:43]([O:45][CH2:46][CH3:47])=[O:44])[CH2:38]1>CC(CC(C)C)=O>[CH2:46]([O:45][C:43]([C@@H:3... | 1 |
[CH2:1]([C:8]1[CH:9]=[N:10][C:11]2[C:16]([C:17]=1[C:18]1[CH:19]=[C:20]([OH:24])[CH:21]=[CH:22][CH:23]=1)=[CH:15][CH:14]=[CH:13][C:12]=2[C:25]([F:28])([F:27])[F:26])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[Cl:29][C:30]1[CH:35]=[CH:34][CH:33]=[CH:32][C:31]=1[CH:36](O)[CH3:37]>>[CH2:1]([C:8]1[CH:9]=[N:10][C:11]2[C:16]([C... | 1 |
[F:1][C:2]1[CH:7]=[CH:6][CH:5]=[C:4]([O:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH3:16])[C:3]=1[F:17].C(O[C:25]1[CH:30]=[CH:29][C:28](Br)=[C:27](F)[CH:26]=1)CCCCC>>[CH2:9]([O:8][C:4]1[CH:5]=[CH:6][C:7]([C:2]2[CH:7]=[CH:6][C:5]([C:25]3[CH:26]=[CH:27][C:28]([CH2:9][CH2:10][CH2:11][CH2:12][CH3:13])=[CH:2... | 1 |
BrC1=CC=C2CC3(CCC3)C3(N=C(C(N3)=S)C)C2=C1>N>BrC1=CC=C2CC3(CCC3)C3(N=C(C(=N3)N)C)C2=C1 | 3 |
[C:1]([O:5][C:6]([NH:8][C:9]1[CH:18]=[CH:17][C:16]2[C:11](=[CH:12][CH:13]=[CH:14][CH:15]=2)[C:10]=1[C:19]1[C:20]([C:29]([OH:31])=[O:30])=[CH:21][CH:22]=[C:23]2[C:28]=1[CH:27]=[CH:26][CH:25]=[CH:24]2)=[O:7])([CH3:4])([CH3:3])[CH3:2].[H-].[Na+].[Cl-].[NH4+].[CH2:36]1COCC1>>[C:1]([O:5][C:6]([N:8]([CH3:36])[C:9]1[CH:18]=[C... | 2 |
C1(=CC=CC2=CC=CC=C12)OCCCCN1C(OCC1=O)=O>>C1(=CC=CC2=CC=CC=C12)OCCCCNC(OCC(=O)N)=O | 5 |
N(N)C(=O)OC(C)(C)C.C[Si](C#CC(CCCC(=O)O)=O)(C)C>>C(C)(C)(C)OC(=O)N\N=C(\CCCC(=O)O)/C#C[Si](C)(C)C | 5 |
C1(CC1)C=1C=C(C=2N(C1)C=C(N2)CN2N=NC(=C2)C(=O)OC(C)(C)C)CC(C(=O)OCC)C>ClCCl.C(=O)(C(F)(F)F)O>C1(CC1)C=1C=C(C=2N(C1)C=C(N2)CN2N=NC(=C2)C(=O)O)CC(C(=O)OCC)C | 3 |
C1COCCN1.O(C1=CC=CC=C1)CC1=NC2C(N(C2S1)C(C(=O)OCC(Cl)(Cl)Cl)=C(C)OS(=O)(=O)C)=O>C1=CC=CC=C1>O(C1=CC=CC=C1)CC1=NC2C(N(C2S1)C(C(=O)OCC(Cl)(Cl)Cl)=C(C)N1CCOCC1)=O | 3 |
ClC=1C=NC(=NC1)N1CCC(CC1)CCCOC1=CC(=C(C=C1)CC(=O)NCCCCCC(=O)OC)F>C1CCCO1.CO[H].Cl.[OH-].[Li+]>ClC=1C=NC(=NC1)N1CCC(CC1)CCCOC1=CC(=C(C=C1)CC(=O)NCCCCCC(=O)O)F | 3 |
[C:1]([O:5][CH3:6])(=[O:4])[CH2:2][SH:3].[H-].[Na+].F[C:10]1[CH:15]=[C:14]([F:16])[CH:13]=[CH:12][C:11]=1[C:17](=O)[CH3:18]>C1COCC1.CS(C)=O.O>[F:16][C:14]1[CH:15]=[CH:10][C:11]2[C:17]([CH3:18])=[C:2]([C:1]([O:5][CH3:6])=[O:4])[S:3][C:12]=2[CH:13]=1 | 2 |
[CH3:1][O:2][C:3]1[CH:9]=[CH:8][CH:7]=[C:6]([N+:10]([O-:12])=[O:11])[C:4]=1[NH2:5].N1C=CC=CC=1.[CH3:19][O:20][CH2:21][C:22](Cl)=[O:23].N>CC(N(C)C)=O.O.CO>[CH3:19][O:20][CH2:21][C:22]([NH:5][C:4]1[C:6]([N+:10]([O-:12])=[O:11])=[CH:7][CH:8]=[CH:9][C:3]=1[O:2][CH3:1])=[O:23] | 1 |
NC1=C(C(=O)O)C=C(C=C1)Br.C(OC)(OC)OC.NC=1C=C(C(=O)OC)C=CC1C>C1(=CC=CC=C1)C.C(C)(=O)O>BrC=1C=C2C(N(C=NC2=CC1)C=1C=C(C(=O)OC)C=CC1C)=O | 3 |
CON(C([C@H](C)NC(OC(C)(C)C)=O)=O)C>CC(C)C[AlH]CC(C)C.ClCCl>C(C)(C)(C)OC(=O)N[C@H](C=O)C | 3 |
N1=CC=C2N1C=CC(=C2)C(=O)O>CO[H].Cl>COC(=O)C1=CC=2N(C=C1)N=CC2 | 3 |
[CH3:1][O:2][C:3]1[CH:8]=[CH:7][C:6]([C:9]([C:11]2[CH:16]=[CH:15][C:14]([O:17][CH3:18])=[CH:13][CH:12]=2)=[CH2:10])=[CH:5][CH:4]=1.[CH:19]([Br:22])(Br)[Br:20].[OH-].[Na+]>[Cl-].C([N+](CC)(CC)CC)C1C=CC=CC=1.O>[CH3:18][O:17][C:14]1[CH:13]=[CH:12][C:11]([C:9]2([C:6]3[CH:5]=[CH:4][C:3]([O:2][CH3:1])=[CH:8][CH:7]=3)[CH2:10]... | 2 |
ClC1C=C[C:5]2[N:6]([C:8]([C:11]([C:13]3C=C4C(=CC=3)N=CC=C4)=O)=CN=2)[N:7]=1.Cl[C:24]1[CH:25]=[CH:26][C:27]2[N:28]([C:30]([C:33]([C:39]3[CH:40]=[C:41]4[C:46](=[CH:47][CH:48]=3)[N:45]=[CH:44][CH:43]=[CH:42]4)([OH:38])[C:34]([F:37])([F:36])[F:35])=[CH:31][N:32]=2)[N:29]=1.CN(C=O)C.FC([Si](C)(C)C)(F)F.CCCC[N+](CCCC)(CCCC)C... | 1 |
[Br:1][C:2]1[C:14]2[C:13]3[C:8](=[CH:9][CH:10]=[CH:11][CH:12]=3)[NH:7][C:6]=2[N:5]=[CH:4][CH:3]=1.[CH3:15][O:16]C1C=C2C(C3C(=[N+]([O-])C=CC=3)N2)=CC=1.P(Br)(Br)(Br)=O>CN(C=O)C>[Br:1][C:2]1[C:14]2[C:13]3[C:8](=[CH:9][C:10]([O:16][CH3:15])=[CH:11][CH:12]=3)[NH:7][C:6]=2[N:5]=[CH:4][CH:3]=1 | 2 |
C1(=C(C=CC=C1)C=1N=C2N(C3=C(NC4=C2C=CC=C4)N=CC=C3)C1)C>>BrC1=C(N=C2N1C1=C(NC3=C2C=CC=C3)N=CC=C1)C1=C(C=CC=C1)C | 5 |
C(O[C:4]([CH:6]1[N:13]2[CH:9]([CH2:10][CH2:11][C:12]2=[O:14])[CH2:8][CH2:7]1)=[O:5])C.CCCN[N:19]([CH2:24][CH3:25])NCCC>>[CH3:4][CH:6]([N:13]([CH2:25][CH2:24][NH:19][C:4]([CH:6]1[N:13]2[CH:9]([CH2:10][CH2:11][C:12]2=[O:14])[CH2:8][CH2:7]1)=[O:5])[CH:9]([CH3:10])[CH3:8])[CH3:7] | 1 |
O=C1N(CCC12CC=CC2)C(=O)OC(C)(C)C>CO[H].[HH].[Pd]>O=C1N(CCC12CCCC2)C(=O)OC(C)(C)C | 3 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]([CH2:11][C:12](Cl)=[O:13])[CH:6]=[CH:7][C:8]=1[O:9][CH3:10].[CH2:15]([C@H:19]1[CH2:24][NH:23][CH2:22][CH2:21][NH:20]1)[CH:16]([CH3:18])[CH3:17]>>[CH3:1][O:2][C:3]1[CH:4]=[C:5]([CH2:11][C:12]([N:23]2[CH2:22][CH2:21][NH:20][C@@H:19]([CH2:15][CH:16]([CH3:18])[CH3:17])[CH2:24]2)=[O:13])[CH:6]... | 2 |
C(O[C:6]([N:8]1[CH2:12][C:11](=[N:13][O:14][CH2:15][CH3:16])[CH2:10][C@H:9]1[C:17]([OH:19])=O)=[O:7])(C)(C)C.[C:20]1([CH:26]([C:30]2[CH:35]=[CH:34][CH:33]=[CH:32][CH:31]=2)C(Cl)=O)[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=1.[CH2:36]([N:38]([CH2:42][CH3:43])[CH2:39][CH2:40][NH2:41])[CH3:37]>>[CH2:36]([N:38]([CH2:42][CH3:43]... | 1 |
[O:1]1[CH:5]=[CH:4][CH:3]=[C:2]1[C:6]1[N:10]2[N:11]=[C:12]([C:15]3[CH:20]=[CH:19][CH:18]=[C:17]([N+:21]([O-])=O)[CH:16]=3)[CH:13]=[CH:14][C:9]2=[N:8][N:7]=1.Cl[Sn]Cl.ClCCl.C([O-])(O)=O.[Na+]>C(O)C>[O:1]1[CH:5]=[CH:4][CH:3]=[C:2]1[C:6]1[N:10]2[N:11]=[C:12]([C:15]3[CH:16]=[C:17]([CH:18]=[CH:19][CH:20]=3)[NH2:21])[CH:13]=... | 2 |
FC(C=1C=C(C=C(C1)C(F)(F)F)[C@@H]1[C@@H](N(C(O1)=O)CC1=NC(=CC=C1N(CC)C[C@@H]1CC[C@H](CC1)CC(=O)OCC)C(=C)C)C)(F)F>>FC(C=1C=C(C=C(C1)C(F)(F)F)[C@@H]1[C@@H](N(C(O1)=O)CC1=NC(=CC=C1N(CC)C[C@@H]1CC[C@H](CC1)CC(=O)OCC)C(C)C)C)(F)F | 5 |
[N-]=[N+]=C.BrC=1C=C2C(C(NC2=CC1)=O)=CC#N>C(C)OCC>BrC=1C=C2C3(C(NC2=CC1)=O)C(C3)C#N | 3 |
[O:1]=[C:2]1[NH:7][N:6]=[C:5]([N:8]2[C:16]3[C:11](=[CH:12][CH:13]=[CH:14][CH:15]=3)[CH2:10][C@H:9]2[C:17]([O:19][CH3:20])=[O:18])[CH:4]=[CH:3]1.[CH2:21](Br)[C:22]1[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=1.C(=O)([O-])[O-].[K+].[K+]>CN(C)C=O>[CH2:21]([N:7]1[C:2](=[O:1])[CH:3]=[CH:4][C:5]([N:8]2[C:16]3[C:11](=[CH:12][CH:13]... | 2 |
FC1=C(OC2=CC(N(N=C2)C2OCCCC2)=O)C(=CC=C1)F>>FC1=C(OC2=CC(NN=C2)=O)C(=CC=C1)F | 5 |
C(=C)P(OCC)(OCC)=O.C(CCCCCCC)OC1=CC=C(C=C1)C1CNCCO1>>C(C)OP(OCC)(=O)CCN1CC(OCC1)C1=CC=C(C=C1)OCCCCCCCC | 5 |
NC=1C(=NC=CC1)Cl>C(C)OCC.ClS(Cl)=O>ClC1=NC=CC=C1N=S=O | 3 |
[F:1][C:2]([F:23])([F:22])[C:3]([N:5]1[CH2:10][CH2:9][CH2:8][CH2:7][C:6]21[CH2:19][CH2:18][C:17]1[C:12](=[CH:13][CH:14]=[C:15]([O:20][CH3:21])[CH:16]=1)[CH2:11]2)=[O:4].[N+:24]([O-:27])([O-:26])=[O:25].[NH4+].FC(F)(F)C(OC(=O)C(F)(F)F)=O.O>C(Cl)(Cl)Cl>[F:23][C:2]([F:1])([F:22])[C:3]([N:5]1[CH2:10][CH2:9][CH2:8][CH2:7][C... | 1 |
[NH:1]1[C:10]2[CH2:9][CH2:8][CH2:7][C:6](=[O:11])[C:5]=2[CH:4]=[CH:3][C:2]1=O.P(Cl)(Cl)([Cl:15])=O.[OH-].[Na+]>C(#N)C>[Cl:15][C:2]1[CH:3]=[CH:4][C:5]2[C:6](=[O:11])[CH2:7][CH2:8][CH2:9][C:10]=2[N:1]=1 | 1 |
BrC1=C(C2=C(CN3[C@@H](CO2)CN(CC3)C(=O)OC(C)(C)C)C=C1F)F.C(=C)C1=C(C(=CC=C1)OC)B1OC(C(O1)(C)C)(C)C>O.C([O-])([O-])=O.[K+].[K+].O1CCOCC1.C1(CCCCC1)P(C1=C(C=CC=C1)C1=C(C=CC=C1OC(C)C)OC(C)C)C1CCCCC1.CS(=O)(=O)O[Pd]c1ccccc1-c2ccccc2N.CC(C)Oc3cccc(OC(C)C)c3-c4ccccc4P(C5CCCCC5)C6CCCCC6>C(=C)C1=C(C(=CC=C1)OC)C1=C(C2=C(CN3[C@@H... | 3 |
COC(C(C)C1=CC=C(C=C1)N1CCN(CC1)C(=O)OC(C)(C)C)=O>O.C1CCCO1.CO[H].O[Li].O>C(C)(C)(C)OC(=O)N1CCN(CC1)C1=CC=C(C=C1)C(C(=O)O)C | 3 |
BrC1=CC2=C(C(C3=C(OC2)C=CC(=C3)O)O)C=C1>>BrC1=CC2=C(C(C3=C(OC2)C=CC(=C3)O)OC)C=C1 | 5 |
C(=O)(OC(C)(C)C)N1C(CNCC1)C.C(C)(C)(C)S(=O)(=O)C=1C=C2C(=NC=NC2=CC1OCCOCCOCCOCCOCC(=O)OC(C)(C)C)NC1=NNC(=C1C)C>N(C)(C)C=O.ClCCl.Cl.C(C)(C)N(C(C)C)CC.CCN=C=NCCCN(C)C>C(C)(C)(C)S(=O)(=O)C=1C=C2C(=NC=NC2=CC1OCCOCCOCCOCCOCC(=O)N1CC(N(CC1)C(=O)OC(C)(C)C)C)NC1=C(C(=NN1)C)C | 3 |
C(C=C)C1=CC=CC=2N(C(=NC21)COC2=CC=C(C=C2)Cl)CCCC2CCNCC2.N1(CCCCC1)CCCCl>>C(C=C)C1=C(C=CC=2N=C(NC21)COC2=CC=C(C=C2)Cl)CCCC2CCN(CC2)CCCN2CCCCC2 | 5 |
[Br:1][C:2]1[CH:27]=[CH:26][C:5]2[N:6]([C:18]3[CH:23]=[CH:22][C:21]([O:24][CH3:25])=[CH:20][CH:19]=3)[C:7]([S:9][CH2:10][C:11]3[CH:16]=[CH:15][C:14]([Cl:17])=[CH:13][CH:12]=3)=[N:8][C:4]=2[CH:3]=1.C(OCC)(=O)C.Cl>C(OCC)C>[ClH:17].[Br:1][C:2]1[CH:27]=[CH:26][C:5]2[N:6]([C:18]3[CH:23]=[CH:22][C:21]([O:24][CH3:25])=[CH:20]... | 2 |
N1=CN=CC=C1.N1=CC=C(C=C1)S(=O)(=O)N.ClC1=NC(=NC(=C1)O[C@@H](COC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)C)SCC1=C(C(=CC=C1)F)F>ClCCl.O1CCOCC1.[Pd].[Pd].O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.C(=O)([O-])[O-].[Cs+].[Cs+].P(c2ccccc2c1c(cc(cc1C(C)C)C(C)C)C(C)C)(C3CCCCC3)... | 3 |
C(O[C:9]1[C:14]([F:15])=[C:13]([O:16]CC2C=CC=CC=2)[CH:12]=[CH:11][C:10]=1[NH:24][C:25](=[O:38])[C:26]1[CH:31]=[CH:30][C:29]([O:32][CH2:33][CH:34]2[CH2:36][CH2:35]2)=[C:28]([F:37])[CH:27]=1)C1C=CC=CC=1>[C].[Pd].C1COCC1>[CH:34]1([CH2:33][O:32][C:29]2[CH:30]=[CH:31][C:26]([C:25]3[O:38][C:9]4[C:14]([F:15])=[C:13]([OH:16])[... | 1 |
[NH2:1][CH:2]1[CH2:7][CH2:6][CH2:5][CH:4]([NH:8][C:9]2[CH:16]=[CH:15][C:12]([C:13]#[N:14])=[C:11]([C:17]([F:20])([F:19])[F:18])[CH:10]=2)[CH2:3]1.CN([CH:24]=[N:25][N:26]=[CH:27]N(C)C)C.CC1C=CC(S([O-])(=O)=O)=CC=1.C1C=C[NH+]=CC=1>C1(C)C=CC=CC=1>[N:25]1[N:26]=[CH:27][N:1]([CH:2]2[CH2:7][CH2:6][CH2:5][CH:4]([NH:8][C:9]3[C... | 2 |
CC(C(=O)NCC(=O)OC(C)(C)C)(OC1=CC=C(C=C1)C#CCN[C@H](C)C1=CC=CC2=CC=CC=C12)C>>CC(C(=O)NCC(=O)OC(C)(C)C)(OC1=CC=C(C=C1)CCCN[C@H](C)C1=CC=CC2=CC=CC=C12)C | 5 |
NC(=S)N.BrCCC(CC(C(F)(F)F)(C(F)(F)F)F)C(F)(F)F>>FC(CC(CCCS)C(F)(F)F)(C(F)(F)F)C(F)(F)F | 3 |
ClC=1C=C(C=CC1)[C@@H]1[C@H](C1)C1=NC2=CC(=CC=C2C(=C1)OC)N(C(OC(C)(C)C)=O)CC=1N=C2N(C=C(C=C2N2C(N(C(C2)=O)C)=O)C2CC2)C1>Cl.N1=CC=CC=C1>ClC=1C=C(C=CC1)[C@@H]1[C@H](C1)C=1NC2=CC(=CC=C2C(C1)=O)NCC=1N=C2N(C=C(C=C2N2C(N(C(C2)=O)C)=O)C2CC2)C1 | 3 |
[F:1][C:2]1[CH:37]=[CH:36][CH:35]=[CH:34][C:3]=1[CH2:4][NH:5][C:6](=[O:33])[CH2:7][CH:8]1[N:14]([C:15](=[O:22])[C:16]2C=CN=CC=2)[CH2:13][C:12]2[CH:23]=[CH:24][CH:25]=[CH:26][C:11]=2[N:10]([CH2:27][C:28]([CH3:31])([CH3:30])[CH3:29])[C:9]1=[O:32].C(OC(=O)C)(=O)C>N1C=CC=CC=1.CN(C)C1C=CN=CC=1>[C:15]([N:14]1[CH2:13][C:12]2[... | 1 |
O(C1=CC=CC=C1)C1=CC=C(C=C1)CC#N>CO[H].[HH].N.[Ni]>O(C1=CC=CC=C1)C1=CC=C(CCN)C=C1 | 3 |
C(#N)[Zn]C#N.BrC=1C=C(C=C2C=C(NC12)CNC(OC(C)(C)C)=O)N1C=NC=C1>N(C)(C)C=O.O.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>C(C)(C)(C)OC(NCC=1NC2=C(C=C(C=C2C1)N1C=NC=C1)C#N)=O | 3 |
FC(C1=CC=CC(=N1)C(=O)O)(F)F>C1CCCO1.CCN(CC)CC.ClC(=O)OCC.[BH4-].[Li+]>FC(C1=CC=CC(=N1)CO)(F)F | 3 |
NC(=O)NC=1NC2=CC(=CC=C2C1C(=O)N)OC>>NC(=O)NC=1NC2=CC(=C(C=C2C1C(=O)N)Br)OC | 5 |
ClC=1C=C(C=C2C=C(NC12)C(=O)OCC)OC>>ClC=1C=C(C=C2C=C(NC12)C(=O)OCC)O | 5 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([CH2:8][CH:9]([CH3:15])[C:10](OCC)=[O:11])=[CH:4][CH:3]=1.[H-].[H-].[H-].[H-].[Li+].[Al+3]>C1COCC1>[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([CH2:8][CH:9]([CH3:15])[CH2:10][OH:11])=[CH:6][CH:7]=1 | 2 |
Br[CH2:2][C:3]1[C:4]([C:13]([F:16])([F:15])[F:14])=[N:5][N:6]([C:9]([CH3:12])([CH3:11])[CH3:10])[C:7]=1[Cl:8].O.[SH-:18].[Na+].O>CN(C)C=O>[C:9]([N:6]1[C:7]([Cl:8])=[C:3]([CH2:2][SH:18])[C:4]([C:13]([F:16])([F:15])[F:14])=[N:5]1)([CH3:12])([CH3:11])[CH3:10] | 1 |
[C:1]1([C:7]2[C:11]3[CH2:12][NH:13][CH2:14][CH2:15][C:10]=3[NH:9][N:8]=2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[C:16](Cl)([O:18][CH2:19][C:20]1[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=1)=[O:17]>C(Cl)Cl>[C:1]1([C:7]2[C:11]3[CH2:12][N:13]([C:16]([O:18][CH2:19][C:20]4[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=4)=[O:17])[CH2:14][CH2:... | 2 |
CS(=O)(=O)Cl.FC1=C2C(=C(C(=NC2=CC(=C1)F)C1=NC=CC=C1)C)NC1=C(C=NC(=C1)N1CCOCC1)C=1C=NC=C(C1)N>>FC1=C2C(=C(C(=NC2=CC(=C1)F)C1=NC=CC=C1)C)NC1=C(C=NC(=C1)N1CCOCC1)C=1C=NC=C(C1)NS(=O)(=O)C | 5 |
[Br:1][C:2]1[C:11]2[C:6](=[C:7]([CH3:14])[CH:8]=[C:9]([O:12][CH3:13])[CH:10]=2)[N:5]=[CH:4][C:3]=1[C:15]([O:17]CC)=[O:16].Cl>O1CCCC1.[OH-].[Na+]>[Br:1][C:2]1[C:11]2[C:6](=[C:7]([CH3:14])[CH:8]=[C:9]([O:12][CH3:13])[CH:10]=2)[N:5]=[CH:4][C:3]=1[C:15]([OH:17])=[O:16] | 2 |
[CH:1]([OH:14])([C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[NH:15]1[CH2:20][CH2:19][CH:18]([CH2:21]O)[CH2:17][CH2:16]1.C12(CS(O)(=O)=O)C(C)(C)C(CC1)CC2=O.[OH-].[Na+]>C1(C)C=CC=CC=1>[C:2]1([CH:1]([C:8]2[CH:9]=[CH:10][CH:11]=[CH:12][CH:13]=2)[O:14][CH2:21][CH:18]2[CH2:19][CH2:20... | 1 |
C(C)OC(CC(CC(C)C)CBr)=O>>C(C)OC(CC(CC(C)C)CP(=O)(OCC)OCC)=O | 3 |
FC=1C=C2CCNC2=CC1.COC=1C=CC2=C(CCN(C(N2)=O)C2CCN(CC2)C2=C(C(=NC=N2)C(=O)OC(C)(C)C)C)C1>N(C)(C)C=O.CCN(CC)CC.CN(C)C(=[N+](C)C)ON1C2=C(C=CC=C2)N=N1.[B-](F)(F)(F)F>COC=1C=CC2=C(CCN(C(N2)=O)C2CCN(CC2)C2=C(C(=NC=N2)C(=O)O)C)C1 | 3 |
C[O:2][C:3](=[O:28])[C:4]1[CH:9]=[CH:8][C:7]([O:10][CH2:11][CH2:12][N:13](C)[C:14]([NH:16][CH:17]2[CH:24]3[CH2:25][CH:20]4[CH2:21][CH:22]([CH2:26][CH:18]2[CH2:19]4)[CH2:23]3)=[O:15])=[CH:6][CH:5]=1.[OH-].[Na+].O.[CH2:32]1COCC1>>[CH:18]12[CH2:26][CH:22]3[CH2:21][CH:20]([CH2:25][CH:24]([CH2:23]3)[CH:17]1[N:16]([CH3:32])[... | 1 |
FC(C(=O)NC1(CC(C1)=O)C1=CC=C(C=C1)C1=NC=2C=CN3C(C2C=C1C1=CC=CC=C1)=NN=C3C3=NC=CC=N3)(F)F>CO[H].ClCCl.[Na+].[BH4-]>FC(C(=O)NC1(CC(C1)O)C1=CC=C(C=C1)C1=NC=2C=CN3C(C2C=C1C1=CC=CC=C1)=NN=C3C3=NC=CC=N3)(F)F | 3 |
C(#C)OCC>C1(=CC=CC=C1)C.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(CCC)[Sn]([Sn](CCCC)(CCCC)CCCC)(CCCC)CCCC>C(CCC)[Sn](\C(=C\[Sn](CCCC)(CCCC)CCCC)\OCC)(CCCC)CCCC | 3 |
NC(=O)C1=CC=CC2=CN(N=C12)C1=CC=C(C=C1)C1CN(CCC1)C(=O)OC(C)(C)C>O.O=S(=O)(O)C.C([O-])([O-])=O.[K+].[K+].C1(=CC=C(C=C1)C)C.C2=C(C=CC=C2C)C.C3=CC=CC(=C3C)C>N1C(C(C(C(C1([2H])[2H])([2H])[2H])([2H])[2H])([2H])C1=C(C(=C(C(=C1[2H])[2H])N1N=C2C(=CC=CC2=C1)C(=O)N)[2H])[2H])([2H])[2H] | 3 |
[O:1]1[CH2:6][CH2:5][CH2:4][CH2:3][CH:2]1[O:7][CH2:8][CH2:9][CH2:10][CH2:11][CH:12]=[CH2:13].ClC1C=CC=C(C(OO)=[O:22])C=1>C(Cl)Cl>[O:22]1[CH:12]([CH2:11][CH2:10][CH2:9][CH2:8][O:7][CH:2]2[CH2:3][CH2:4][CH2:5][CH2:6][O:1]2)[CH2:13]1 | 1 |
NC=1C(=C(C=C(C1)C(C)(C)C)NS(=O)(=O)C)OC.ClC1=CC=C(C=N1)C(=O)NC1=CC=CC2=C1SC(=C2)C(=O)O>N(C)(C)C=O.OC1=CC=CC=2NN=NC21.CCN=C=NCCCN(C)C>C(C)(C)(C)C=1C=C(C(=C(C1)NC(=O)C1=CC2=C(S1)C(=CC=C2)NC(C2=CN=C(C=C2)Cl)=O)OC)NS(=O)(=O)C | 3 |
C(O[C:5](=[O:7])[CH3:6])(=O)C.[CH3:8][NH:9][C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=1>O>[CH3:8][N:9]([C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=1)[C:5](=[O:7])[CH3:6] | 2 |
[CH2:1]([O:8][CH2:9][C:10]([NH:12][C:13]1[CH:14]=[C:15]2[C:19](=[CH:20][C:21]=1[C:22]#[N:23])[C:18](=[O:24])[CH2:17][CH2:16]2)=[O:11])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.C(O)=[O:26].S([O-])([O-])(=O)=O.[Mg+2]>O>[NH2:23][C:22]([C:21]1[CH:20]=[C:19]2[C:15]([CH2:16][CH2:17][C:18]2=[O:24])=[CH:14][C:13]=1[NH:12][C:10]... | 1 |
O1CCC(CC1)O.ClC1=NC=C(C=2N=C(N=CC21)N[C@H](COC)C)I>CC(C)(C)[O-].[K+].CC1OCCC1>IC1=CN=C(C2=C1N=C(N=C2)N[C@H](COC)C)OC2CCOCC2 | 3 |
Cl.[CH3:2][O:3][NH2:4].[CH3:5][C:6]1[CH:11]=[CH:10][CH:9]=[C:8]([CH3:12])[C:7]=1[C:13](=O)[C:14]([O:16][CH3:17])=[O:15]>CO>[CH3:2][O:3][N:4]=[C:13]([C:7]1[C:8]([CH3:12])=[CH:9][CH:10]=[CH:11][C:6]=1[CH3:5])[C:14]([O:16][CH3:17])=[O:15] | 1 |
C1(CC1)B(O)O.ClC1=NC(=CC(=C1)C(F)(F)F)COCC1(CCN(CC1)C)C1=CC=C(C=C1)F>>C1(CC1)C1=NC(=CC(=C1)C(F)(F)F)COCC1(CCN(CC1)C)C1=CC=C(C=C1)F | 5 |
C1(=CC=CC=C1)OC(=O)N1CCC(CC1)(C1=CC(=CC=C1)OC(C)C)C>C(C)(=O)O.Br>OC=1C=C(C=CC1)C1(CCNCC1)C | 3 |
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