smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
[CH3:1][O:2][C:3](=[O:13])[C:4](=[O:12])[C:5]1[CH:10]=[CH:9][C:8]([OH:11])=[CH:7][CH:6]=1.[H-].[Na+].Br[CH2:17][CH:18]=[CH:19][C:20]1[CH:29]=[CH:28][C:27]2[C:22](=[CH:23][CH:24]=[CH:25][CH:26]=2)[CH:21]=1>CN(C)C=O>[CH3:1][O:2][C:3](=[O:13])[C:4](=[O:12])[C:5]1[CH:10]=[CH:9][C:8]([O:11][CH2:17]/[CH:18]=[CH:19]/[C:20]2[C... | 1 |
[CH3:1][C:2]1[NH:7][C:6]([CH3:8])=[C:5]([C:9]([O:11][C:12]([CH2:15][N:16]([CH2:18][CH2:19][CH:20]([C:27]2[CH:28]=[CH:29][CH:30]=[CH:31][CH:32]=2)[C:21]2[CH:22]=[CH:23][CH:24]=[CH:25][CH:26]=2)[CH3:17])([CH3:14])[CH3:13])=[O:10])[CH:4]([C:33]2[CH:34]=[CH:35][CH:36]=[C:37]([N+:39]([O-:41])=[O:40])[CH:38]=2)[C:3]=1[C:42](... | 2 |
IC1=CC(=C(N=N1)N)C#CC1(COC1)O[Si](C)(C)C>CC(C)(C)[O-].[K+].C1CCCO1>IC1=CC2=C(N=N1)NC(=C2)C2(COC2)O | 3 |
[CH3:1][CH:2]([N:4]1[C:8]([CH2:9][N:10]2[CH2:15][CH2:14][O:13][CH2:12][CH2:11]2)=[CH:7][C:6]([C:16]([O:18]C(C)(C)C)=[O:17])=[N:5]1)[CH3:3].Cl>O1CCOCC1>[CH3:3][CH:2]([N:4]1[C:8]([CH2:9][N:10]2[CH2:15][CH2:14][O:13][CH2:12][CH2:11]2)=[CH:7][C:6]([C:16]([OH:18])=[O:17])=[N:5]1)[CH3:1] | 1 |
F[C:2]1[N:7]2[CH:8]=[C:9]([CH2:11][N:12]([CH3:23])[C@@H:13]3[C:18]4=[N:19][CH:20]=[CH:21][CH:22]=[C:17]4[O:16][CH2:15][CH2:14]3)[N:10]=[C:6]2[CH:5]=[CH:4][CH:3]=1.[CH3:24][NH:25][CH:26]1[CH2:30][N:29]([CH3:31])[CH2:28][CH2:27]1>CN1CCCC1=O.C(OCC)(=O)C>[NH4+:7].[OH-:16].[CH3:23][N:12]([CH2:11][C:9]1[N:10]=[C:6]2[CH:5]=[C... | 2 |
[N:1]1([CH2:6][CH2:7][CH2:8][CH2:9][C:10]2[CH:25]=[CH:24][C:13]([O:14][CH2:15][C:16]3[O:17][CH:18]=[C:19]([C:21]([OH:23])=O)[N:20]=3)=[CH:12][CH:11]=2)[CH:5]=[CH:4][N:3]=[N:2]1.[Cl:26][C:27]1[CH:28]=[C:29]([NH2:34])[CH:30]=[CH:31][C:32]=1[F:33]>>[Cl:26][C:27]1[CH:28]=[C:29]([NH:34][C:21]([C:19]2[N:20]=[C:16]([CH2:15][O... | 2 |
C(OC([N:8]1[CH2:14][CH2:13][CH2:12][N:11]([C:15]2[C:20]([O:21][CH3:22])=[CH:19][CH:18]=[CH:17][N:16]=2)[CH2:10][CH2:9]1)=O)(C)(C)C.[ClH:23].O1CCOCC1>CO>[ClH:23].[ClH:23].[CH3:22][O:21][C:20]1[C:15]([N:11]2[CH2:12][CH2:13][CH2:14][NH:8][CH2:9][CH2:10]2)=[N:16][CH:17]=[CH:18][CH:19]=1 | 1 |
[Br:1][C:2]1[CH:3]=[C:4]([CH:8]=[CH:9][N:10]=1)[C:5](O)=[O:6].C1N=CN(C([N:18]2[CH:22]=NC=C2)=O)C=1.CN([CH:26]=[O:27])C>O>[Br:1][C:2]1[CH:3]=[C:4]([CH:8]=[CH:9][N:10]=1)[C:5]([N:18]([O:27][CH3:26])[CH3:22])=[O:6] | 2 |
C(CCC)OC1=C(N(C(C2=CC=C(C=C12)/C=C/C(=O)N)=O)CC(C)(C)C)CNC(=O)OC(C)(C)C>>Cl.NCC=1N(C(C2=CC=C(C=C2C1OCCCC)/C=C/C(=O)N)=O)CC(C)(C)C | 5 |
C1CC12C1(CC1)C2C(=O)OCC>C1CCCO1.[2H-].[Al+3].[Li+].[2H-].[2H-].[2H-]>C1CC12C1(CC1)C2CO | 3 |
CC1=CC=C(C=C1)S(=O)(=O)N=S(=O)(C)Cl>>CS(=O)(N1CCCC1)=NS(=O)(=O)C1=CC=C(C=C1)C | 5 |
C([O:3][C:4](=O)[CH:5]([C:18]1[CH:23]=[CH:22][C:21]([O:24][CH3:25])=[CH:20][CH:19]=1)[C:6]([C:8]1[CH:13]=[CH:12][C:11]([S:14]([CH3:17])(=[O:16])=[O:15])=[CH:10][CH:9]=1)=O)C.[CH3:27][NH:28][NH:29][CH3:30]>C1(C)C=CC=CC=1.O>[CH3:17][S:14]([C:11]1[CH:12]=[CH:13][C:8]([C:6]2[N:29]([CH3:30])[N:28]([CH3:27])[C:4](=[O:3])[C:5... | 1 |
[N:1]1[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.Cl.Cl.N1C=CC=CC=1.[Cl:15][C:16]1[C:21]([O:22][C:23]2[CH:28]=[CH:27][CH:26]=[CH:25][C:24]=2[O:29]C)=[CH:20][CH:19]=[CH:18][N:17]=1>O>[ClH:15].[N:1]1[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[N:17]1[C:16]2[O:29][C:24]3[CH:25]=[CH:26][CH:27]=[CH:28][C:23]=3[O:22][C:21]=2[CH:20]=[CH:19][CH... | 1 |
C(C)(=O)OC[C@@H]1[C@](CC[C@@H](C1)OC(C)=O)([C@H]1CC[C@@]2(C(=CC[C@H]2[C@@H]1CNC(C(F)(F)F)=O)C1=CC=CC=C1)C)C>>C(C)(=O)OC[C@@H]1[C@](CC[C@@H](C1)OC(C)=O)([C@@H]1[C@H]([C@@H]2C[C@@H]3[C@@](O3)([C@]2(CC1)C)C1=CC=CC=C1)CNC(C(F)(F)F)=O)C | 5 |
C(C1=CC=CC=C1)N1CC2=CC=NC(=C2CC1)C1=CC=CC=C1>CO[H].C(=O)(C(F)(F)F)O.[HH].[Pd]>C1(=CC=CC=C1)C1=C2CCNCC2=CC=N1 | 3 |
[ClH:1].[CH:2]1[C:11]2[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=2)[CH:5]=[CH:4][C:3]=1[CH2:12][CH:13]1[CH2:18][CH2:17][NH:16][CH2:15][CH2:14]1.[OH:19][C:20]1[CH:29]=[CH:28][C:23]([O:24][CH2:25][CH2:26]Br)=[CH:22][CH:21]=1.C([O-])(O)=O.[Na+]>>[ClH:1].[OH:19][C:20]1[CH:29]=[CH:28][C:23]([O:24][CH2:25][CH2:26][N:16]2[CH2:17][CH2:... | 1 |
N1C=CC=CC=1C(O)=O.P([O-])([O-])([O-])=O.[K+].[K+].[K+].Br[C:19]1[CH:27]=[CH:26][C:22]2[CH2:23][CH2:24][O:25][C:21]=2[CH:20]=1.[O:28]=[S:29]1(=[O:48])[CH2:34][CH2:33][N:32]2[CH:35]3[CH2:40][CH2:39][C:38]([C:41]4[CH:46]=[CH:45][C:44]([OH:47])=[CH:43][CH:42]=4)([C:31]2=[N:30]1)[CH2:37][CH2:36]3>[Cu]I.CS(C)=O>[O:25]1[C:21]... | 2 |
NC1=C(C=CC=C1)NC(=O)C1=CC=C(CN2C(C3=CC=CC=C3C(C2)=C)CC(=O)OC)C=C1>CCO[H].[OH-].[Na+]>NC1=C(C=CC=C1)NC(=O)C1=CC=C(CN2C(C3=CC=CC=C3C(C2)=C)CC(=O)O)C=C1 | 3 |
FC1=CC=CC=2C=3C(=CNC12)C(N(N3)C3=CC=C(C(=O)O)C=C3)=O>N(C)(C)C=O.ClCCl.C(C(=O)Cl)(=O)Cl>FC1=CC=CC=2C=3C(=CNC12)C(N(N3)C3=CC=C(C(=O)Cl)C=C3)=O | 3 |
C(C)(C)OC(=O)Cl.COC1=C2C(=C(N=C1)C1=CC=C(C=C1)N1CCNCC1)NC=C2C(C(=O)N2CCN(CC2)C2=NN=NN2C2=NC=CC=C2)=O>N(C)(C)C=O.C1CCCO1.CCN(CC)CC>COC1=C2C(=C(N=C1)C1=CC=C(C=C1)N1CCN(CC1)C(=O)OC(C)C)NC=C2C(C(N2CCN(CC2)C2=NN=NN2C2=NC=CC=C2)=O)=O | 3 |
FC(OC1=C(C=C(CNC(=O)[C@@H]2N(CCN(C2)C=2SC3=C(N=C(N=C3Cl)C(F)(F)F)N2)S(=O)(=O)C2=CC=C(C=C2)OC(F)(F)F)C=C1)F)F>CCO[H].[Pd].C(=O)[O-].[NH4+]>FC(OC1=C(C=C(CNC(=O)[C@@H]2N(CCN(C2)C=2SC3=C(N=C(N=C3)C(F)(F)F)N2)S(=O)(=O)C2=CC=C(C=C2)OC(F)(F)F)C=C1)F)F | 3 |
C([Mg]Cl)(C)C.C[O:7][CH2:8][C:9]1([C:22]([O:24][CH3:25])=O)[CH2:14][CH2:13][N:12]([C:15]([O:17][C:18]([CH3:21])([CH3:20])[CH3:19])=[O:16])[CH2:11][CH2:10]1.Cl.[CH3:27][NH:28][O:29][CH3:30]>O1CCCC1.C(OCC)(=O)C>[CH3:25][O:24][CH2:22][C:9]1([C:8]([N:28]([O:29][CH3:30])[CH3:27])=[O:7])[CH2:14][CH2:13][N:12]([C:15]([O:17][C... | 2 |
[C:1](Cl)(=[O:4])[CH2:2][CH3:3].OC(C(F)(F)F)=O.[NH2:13][C:14]1[S:18][C:17]([C:19]2[CH:24]=[CH:23][N:22]=[C:21]([NH:25][C:26]3[CH:27]=[C:28]([CH3:32])[CH:29]=[CH:30][CH:31]=3)[N:20]=2)=[CH:16][CH:15]=1.N1C=CC=CC=1>C(Cl)Cl.CS(C)=O>[C:28]1([CH3:32])[CH:29]=[CH:30][CH:31]=[C:26]([NH:25][C:21]2[N:20]=[C:19]([C:17]3[S:18][C:... | 1 |
[CH3:1][C:2]1[CH:10]=[C:9]2[C:5]([C:6]([CH:11]=[N:12]O)=[CH:7][NH:8]2)=[CH:4][CH:3]=1.[BH4-].[Na+]>CO>[CH3:1][C:2]1[CH:10]=[C:9]2[C:5]([C:6]([CH2:11][NH2:12])=[CH:7][NH:8]2)=[CH:4][CH:3]=1 | 1 |
C(=O)NN.BrC1=NN(C=C1)CCC#N>CO[H].C([O-])([O-])=O.[K+].[K+]>BrC1=NN(C=C1)CCC1=NNC=N1 | 3 |
[CH:1]1([C:4](=O)[C:5]#[C:6][CH:7]([O:11][CH2:12][CH3:13])[O:8][CH2:9][CH3:10])[CH2:3][CH2:2]1.Br.[CH2:16]([S:22][C:23](=[NH:25])[NH2:24])[CH2:17][CH2:18][CH2:19][CH2:20][CH3:21].C(N(CC)CC)C>C1COCC1>[CH:1]1([C:4]2[CH:5]=[C:6]([CH:7]([O:11][CH2:12][CH3:13])[O:8][CH2:9][CH3:10])[N:25]=[C:23]([S:22][CH2:16][CH2:17][CH2:18... | 1 |
[CH2:1]([O:8][C@@H:9]1[CH2:13][CH2:12][CH2:11][C@H:10]1[NH:14][C:15]1[C:16]2[S:24][CH2:23][CH2:22][C:17]=2[N:18]=[C:19](Cl)[N:20]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.O[C:26]1[CH:31]=[CH:30][C:29]([N:32]2[CH2:37][CH2:36][NH:35][CH2:34][CH2:33]2)=[CH:28][CH:27]=1>O1CCOCC1>[CH2:1]([O:8][C@@H:9]1[CH2:13][CH2:12][CH2... | 1 |
Cl.Cl.C(C)(C)N1CCC(CC1)N.COCCOC=1C=C2C(=CN1)NC(=C2)C(=O)O>>C(C)(C)N1CCC(CC1)NC(=O)C1=CC=2C(=CN=C(C2)OCCOC)N1 | 5 |
C(C)N1CCN(CC1)CC1=C(C=C(C=C1)N=C=O)C(F)(F)F.N1C=CC=2C1=NC=CC2OC=2C=NC=1CCNC(C1C2)C>ClCCl.CCN(CC)CC>N1C=CC=2C1=NC=CC2OC=2C=NC=1CCN(C(C1C2)C)C(=O)NC2=CC(=C(C=C2)CN2CCN(CC2)CC)C(F)(F)F | 3 |
[N:1]1[CH:6]=[CH:5][CH:4]=[CH:3][C:2]=1[CH:7]=O.[N:9]1([CH2:14][CH2:15][O:16][C:17]2[CH:18]=[C:19]3[C:24](=[CH:25][CH:26]=2)[C:23](=[O:27])[CH2:22][CH2:21][CH2:20]3)[CH:13]=[CH:12][N:11]=[CH:10]1.Cl.C([O-])(O)=O.[Na+]>N1CCCCC1.C(O)(=O)C>[N:9]1([CH2:14][CH2:15][O:16][C:17]2[CH:18]=[C:19]3[C:24](=[CH:25][CH:26]=2)[C:23](... | 1 |
COC=1[C@H](N=C(CN1)OC)C(C)C.BrC1=CC(=C(C=C1)CBr)OC>C1CCCO1.C(CCC)[Li].[Cl-].[NH4+]>BrC1=CC(=C(C[C@@H]2N=C([C@H](N=C2OC)C(C)C)OC)C=C1)OC | 3 |
Cl.CN.ClC=1C2=C(C(=NC1)OC)C(=NN2C2=C(C=CC=C2F)F)C2=CC=C(C(=O)O)C=C2>N(C)(C)C=O.CCN(CC)CC.OC1=CC=CC=2NN=NC21.Cl.CN(CCCN=C=NCC)C>ClC=1C2=C(C(=NC1)OC)C(=NN2C2=C(C=CC=C2F)F)C2=CC=C(C(=O)NC)C=C2 | 3 |
NC1=NC(=CC(=N1)OC)OC>CC#N.IN1C(CCC1=O)=O>IC=1C(=NC(=NC1OC)N)OC | 3 |
[CH:1]1[C:10]2[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=2)[CH:4]=[CH:3][C:2]=1[O:11][C:12]1[CH:20]=[CH:19][C:15]([C:16](O)=[O:17])=[CH:14][CH:13]=1.[Cl-].[NH2:22][C:23]1[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=1.C(N(CC)CC)C>C(Cl)Cl.CN(C=O)C.O>[C:23]1([NH:22][C:16](=[O:17])[C:15]2[CH:19]=[CH:20][C:12]([O:11][C:2]3[CH:3]=[CH:4][C:5]... | 1 |
IC=1C=CC=2N(N1)C=C(N2)CO.OC=1C=C(C=CC1)NC(=O)C1=CC(=NN1C)C>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>OCC=1N=C2N(N=C(C=C2)OC=2C=C(C=CC2)NC(=O)C2=CC(=NN2C)C)C1 | 3 |
Cl[C:2]1S[C:5]([C:7]2[C:16]([O:17][C:18]3[C:27]4[C:22](=[CH:23][C:24]([O:30][CH3:31])=[C:25]([O:28][CH3:29])[CH:26]=4)[N:21]=[CH:20][CH:19]=3)=[CH:15][C:14]3[C:9](=[CH:10][CH:11]=[CH:12][CH:13]=3)[N:8]=2)=[CH:4][C:3]=1[CH3:32]>C(N(CC)CC)C.CN(C)C=O.[OH-].[Pd+2].[OH-]>[CH3:29][O:28][C:25]1[CH:26]=[C:27]2[C:22](=[CH:23][C... | 1 |
COC1CCNCC1.Cl.CN1C(=NC2=C1C=CC=C2)C=2C=C(C=CC2)N2C[C@@H](CCC2)C(=O)O>CCN(CC)CC.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>N.COC1CCN(CC1)C(=O)[C@H]1CN(CCC1)C1=CC(=CC=C1)C1=NC2=C(N1C)C=CC=C2 | 3 |
[NH2:1][C:2]1[CH:3]=[C:4]([CH:19]=[CH:20][CH:21]=1)[CH2:5][C:6]1[C:11](=[O:12])[CH:10]=[CH:9][N:8]([C:13]2[CH:14]=[N:15][N:16]([CH3:18])[CH:17]=2)[N:7]=1.CCN(C(C)C)C(C)C.Cl[C:32]([O:34][CH2:35][CH3:36])=[O:33].C[OH:38]>C1COCC1>[CH2:35]([O:34][C:32](=[O:33])[NH:1][C:2]1[CH:21]=[CH:20][CH:19]=[C:4]([C:5]([C:6]2[C:11](=[O... | 2 |
COC(=O)NC(C(=O)O)C(C)C.COC(NC(CCC(F)(F)F)C(=O)N1C(CCC1)C=1NC(=CN1)C1=CC=C(C=C1)C1=CC=C(C=C1)C=1NC(=NC1)C1NCCC1)=O>>COC(NC(CCC(F)(F)F)C(=O)N1C(CCC1)C=1NC(=CN1)C1=CC=C(C=C1)C1=CC=C(C=C1)C=1NC(=NC1)C1N(CCC1)C(C(C(C)C)NC(=O)OC)=O)=O | 5 |
Cl[CH:2]1[N:7](Cl)[CH:6]=[CH:5][C:4]([Cl:9])=[N:3]1.C(=O)([O-])[O-].[Na+].[Na+].[SH:16][CH2:17][C:18]([O:20][CH2:21][CH3:22])=[O:19].[CH3:23][C:24]1[C:30]([CH3:31])=[CH:29][CH:28]=[CH:27][C:25]=1[NH2:26]>C(O)C>[CH2:21]([O:20][C:18](=[O:19])[CH2:17][S:16][C:6]1[CH:5]=[C:4]([Cl:9])[N:3]=[C:2]([NH:26][C:25]2[CH:27]=[CH:28... | 1 |
FC=1C=CC=C2C3(C(N(C12)CC1CCNCC1)=O)COC=1C3=CC3=C(OCO3)C1>>FC=1C=CC=C2C3(CN(C12)CC1CCN(CC1)C(C)C)COC=1C3=CC3=C(OCO3)C1 | 5 |
[N:1]([CH:4]([CH3:29])[CH2:5][C:6]1[CH:11]=[CH:10][C:9]([C:12]2[CH:17]=[CH:16][N:15]=[C:14]([NH:18][CH:19]3[CH2:24][C:23]([CH3:26])([CH3:25])[NH:22][C:21]([CH3:28])([CH3:27])[CH2:20]3)[N:13]=2)=[CH:8][CH:7]=1)=[N+]=[N-]>CO.O=[Pt]=O>[NH2:1][CH:4]([CH3:29])[CH2:5][C:6]1[CH:11]=[CH:10][C:9]([C:12]2[CH:17]=[CH:16][N:15]=[C... | 1 |
[N+:1]([C:4]1[CH:5]=[C:6]2[CH:12]=[C:11]([C:13]([O:15]C)=[O:14])[NH:10][C:7]2=[N:8][CH:9]=1)([O-:3])=[O:2].C(O)C.[OH-].[Li+]>O>[N+:1]([C:4]1[CH:5]=[C:6]2[CH:12]=[C:11]([C:13]([OH:15])=[O:14])[NH:10][C:7]2=[N:8][CH:9]=1)([O-:3])=[O:2] | 1 |
CC(C)(C)OC(=O)NC1(CC1)C(=O)O.Cl.NC1(CC1)C#N>C1CCCO1.CCN(CC)CC.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>C(C)(C)(C)OC(NC1(CC1)C(NC1(CC1)C#N)=O)=O | 3 |
C(C)N.[N+](=O)([O-])C=1C=C(C(=O)OC)C=CN1>>[N+](=O)([O-])C=1C=C(C(=O)NCC)C=CN1 | 3 |
[C:1](Cl)(=[O:3])[CH3:2].[CH3:5][N:6]([CH3:24])[C:7](=[S:23])[O:8][C:9]1[C:14]([Cl:15])=[CH:13][C:12]([CH2:16][CH2:17][CH3:18])=[C:11]([OH:19])[C:10]=1[C:20](=[O:22])[CH3:21].C(N(CC)CC)C>O1CCCC1.O.C(OCC)C>[CH3:24][N:6]([CH3:5])[C:7](=[S:23])[O:8][C:9]1[C:14]([Cl:15])=[CH:13][C:12]([CH2:16][CH2:17][CH3:18])=[C:11]([O:19... | 1 |
C(C)OC(CNC1=C(C=CC=C1)C#N)=O>CC(C)(C)[O-].[K+].C1CCCO1>C(C)OC(=O)C=1NC2=CC=CC=C2C1N | 3 |
[OH:1][C:2]1[CH:13]=[CH:12][C:5]([O:6][CH:7]([CH3:11])[C:8]([OH:10])=[O:9])=[CH:4][CH:3]=1.[OH-].[Na+].Br[C:17]1[C:22]([F:23])=[CH:21][C:20]([C:24]([F:27])([F:26])[F:25])=[CH:19][N:18]=1.Cl>CS(C)=O.O>[F:23][C:22]1[C:17]([O:1][C:2]2[CH:3]=[CH:4][C:5]([O:6][CH:7]([CH3:11])[C:8]([OH:10])=[O:9])=[CH:12][CH:13]=2)=[N:18][CH... | 1 |
COC1=CC=C(C=N1)C1=C(N(C2=CC=CC=C12)CC=1C=C(C=CC1)C1=CC=C(C=C1)OCC1=CC=CC=C1)C(=O)OCC>O.C1CCCO1.[OH-].[Na+]>OC1=CC=C(C=C1)C1=CC(=CC=C1)CN1C(=C(C2=CC=CC=C12)C=1C=NC(=CC1)OC)C(=O)O | 3 |
[O:1]=[C:2]1[N:8]([CH:9]2[CH2:14][CH2:13][N:12]([C:15]([O:17][C@@H:18]([C:36]([OH:38])=O)[CH2:19][C:20]3[CH:25]=[C:24]([CH3:26])[C:23]([O:27][CH2:28][C:29]4[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=4)=[C:22]([CH3:35])[CH:21]=3)=[O:16])[CH2:11][CH2:10]2)[CH2:7][CH2:6][C:5]2[CH:39]=[CH:40][CH:41]=[CH:42][C:4]=2[NH:3]1.CN(C(O... | 1 |
C(#N)C1=C(N=C(S1)N(C=1C(=NN2C1C=C(C=C2C)N2CC1(CN(C1)C(=O)OC(C)(C)C)C2)CC)C)C2=CC=C(C=C2)F>ClCCl.C(=O)(C(F)(F)F)O>FC(C(=O)O)(F)F.C(C)C1=NN2C(C=C(C=C2C)N2CC3(C2)CNC3)=C1N(C=1SC(=C(N1)C1=CC=C(C=C1)F)C#N)C | 3 |
FC1=C(N)C(=CC=C1F)[N+](=O)[O-].FC(C1=CC=C(CNCC=C)C=C1)(F)F>CCN(CC)CC.C(C)(=O)OCC.CS(=O)C.II>C(C=C)N(C1=C(C(=C(C=C1)[N+](=O)[O-])N)F)CC1=CC=C(C=C1)C(F)(F)F | 3 |
C(CS)(=O)OCC.C(CCC)[C@H]1N(S(C2=C(N(C1)C1=CC=CC=C1)C=C(C(=C2)CO)N(C)C)(=O)=O)CC2=CC=C(C=C2)OC>O.ClCCl.[Zn+2].[I-].[I-]>C(CCC)[C@H]1N(S(C2=C(N(C1)C1=CC=CC=C1)C=C(C(=C2)CSCC(=O)OCC)N(C)C)(=O)=O)CC2=CC=C(C=C2)OC | 3 |
C([Li])CCC.CCCCCC.Br[C:13]1[S:17][C:16]([N:18]2[CH2:23][CH2:22][N:21]([CH3:24])[CH2:20][CH2:19]2)=[N:15][CH:14]=1.[N+:25]([C:28]1[CH:33]=[CH:32][CH:31]=[CH:30][C:29]=1[N:34]=[C:35]=[O:36])([O-:27])=[O:26].[Cl-].[NH4+]>C(OCC)C>[N+:25]([C:28]1[CH:33]=[CH:32][CH:31]=[CH:30][C:29]=1[NH:34][C:35]([C:13]1[S:17][C:16]([N:18]2... | 2 |
BrCC=C.C(C)(C)(C)OC(N[C@H]([C@H](C[C@@H](C)C(NCCCC)=O)O)CC1=CC(=CC=C1)O)=O>O.CC(=O)C.[I-].[K+]>C(C)(C)(C)OC(N[C@H]([C@H](C[C@@H](C)C(NCCCC)=O)O)CC1=CC(=CC=C1)OCC=C)=O | 3 |
C1(CC1)C(=O)N1[C@H](CCC2=C(C(=CC=C12)C=1C=NNC1)OC1=CC=CC=C1)C.BrC1CCS(CC1)(=O)=O>N(C)(C)C=O.C(=O)([O-])[O-].[Cs+].[Cs+]>C1(CC1)C(=O)N1[C@H](CCC2=C(C(=CC=C12)C=1C=NN(C1)C1CS(CCC1)(=O)=O)OC1=CC=CC=C1)C | 3 |
[C:1](=[O:8])([O:3][C:4](C)([CH3:6])[CH3:5])[NH2:2].C(=O)(O[C:12]([CH3:15])([CH3:14])[CH3:13])N.[F:17][C:18]([F:27])([F:26])[C:19]1[CH:25]=CC(N)=C[CH:20]=1>O1CCCC1>[C:1](=[O:8])([O:3][C:4]1[CH:6]=[CH:20][C:19]([C:18]([F:17])([F:26])[F:27])=[CH:25][C:5]=1[C:12]([CH3:15])([CH3:14])[CH3:13])[NH2:2] | 1 |
C(CC)[C@@H]1CC[C@H](CC1)C1CC2(C1)CC(C2)(C2=CC(=C(C(=C2)F)F)F)O>C1(=CC=CC=C1)C.O.C1(=CC=C(C=C1)S(=O)(=O)O)C>C(CC)[C@@H]1CC[C@H](CC1)C1CC2(C1)C=C(C2)C2=CC(=C(C(=C2)F)F)F | 3 |
[CH3:1][C:2]1[O:3][C:4]([CH3:10])=[CH:5][C:6]=1[C:7](Cl)=[O:8].[NH2:11][C:12]1[CH:13]=[C:14]([CH:31]=[CH:32][C:33]=1[CH3:34])[O:15][C:16]1[CH:17]=[CH:18][C:19]2[N:20]([N:22]=[C:23]([NH:25][C:26]([CH:28]3[CH2:30][CH2:29]3)=[O:27])[N:24]=2)[CH:21]=1>CN(C)C(=O)C>[CH:28]1([C:26]([NH:25][C:23]2[N:24]=[C:19]3[CH:18]=[CH:17][... | 1 |
[CH2:1]([NH2:4])[CH2:2][NH2:3].[C:5]1(=O)[CH2:10][CH2:9][CH2:8][CH2:7][CH2:6]1>[Pt]>[CH:5]1([NH:3][CH2:2][CH2:1][NH2:4])[CH2:10][CH2:9][CH2:8][CH2:7][CH2:6]1 | 1 |
CC1(OC2=CC=C(C=C2C=C1)SC(CO)C1=CC(=C(C(=C1)OC)OC)OC)C>>CC1(OC2=CC=C(C=C2C=C1)SC(COS(=O)(=O)C1=CC=C(C=C1)C)C1=CC(=C(C(=C1)OC)OC)OC)C | 5 |
F[C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][C:11]=1[N+:12]([O-:14])=[O:13])[NH:8][C:7](=[O:15])[N:6]([NH:16][S:17]([CH3:20])(=[O:19])=[O:18])[C:5]2=[O:21].[C:22]([SiH2:26][O:27][C:28]([CH3:35])([CH3:34])[C:29]1[N:30]=[CH:31][NH:32][CH:33]=1)([CH3:25])([CH3:24])[CH3:23].CN1CCN(C)C1=O>C(OCC)(=O)C>[C:22]([SiH2:26][O:27][C:28]([CH3... | 1 |
[F:1][C:2]1[CH:11]=[CH:10][C:9](/[CH:12]=[C:13](/[N+:15]([O-])=O)\[CH3:14])=[CH:8][C:3]=1[C:4](OC)=[O:5].[H-].[H-].[H-].[H-].[Li+].[Al+3]>C1COCC1>[NH2:15][CH:13]([CH3:14])[CH2:12][C:9]1[CH:10]=[CH:11][C:2]([F:1])=[C:3]([CH2:4][OH:5])[CH:8]=1 | 2 |
[C:1]([C:3]1([C:7]2[CH:12]=[CH:11][CH:10]=[C:9]([OH:13])[CH:8]=2)[CH2:6][CH2:5][CH2:4]1)#[N:2].Cl.[CH3:15][C:16]1[N:17]([C:21]2[CH:28]=[CH:27][C:24]([CH2:25]Cl)=[CH:23][CH:22]=2)[CH:18]=[CH:19][N:20]=1.C(=O)([O-])[O-].[K+].[K+].O>CN(C=O)C>[C:1]([C:3]1([C:7]2[CH:12]=[CH:11][CH:10]=[C:9]([O:13][CH2:25][C:24]3[CH:23]=[CH:... | 1 |
[N+:1]([C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][C:5]=1[NH:10][C:11]([NH:13][C:14](=[O:16])[CH3:15])=[S:12])([O-:3])=[O:2].[C:17](=O)([O-])[O-].[K+].[K+].CI>CC(C)=O>[N+:1]([C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][C:5]=1[NH:10][C:11](=[N:13][C:14](=[O:16])[CH3:15])[S:12][CH3:17])([O-:3])=[O:2] | 1 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.[N+](=O)([O-])[O-].[NH4+].COC1=CC=C(C=C1)N[C@H](C(=O)OC)C1(CCC1)C=C>CC#N.O.C1CCCO1.CCN(CC)CC>C(C)(C)(C)OC(=O)N[C@H](C(=O)OC)C1(CCC1)C=C | 3 |
C(#N)C=1C(=CC(=C(CO)C1)OCOC)F>ClCCl.[O-2].[O-2].[Mn+4]>C(#N)C=1C(=CC(=C(C=O)C1)OCOC)F | 3 |
N(C1=CC=CC=C1)C1=C(NC=2CC(CC(C12)=O)CO)C1=CC=NC=C1>O.ClCCl.CCN(CC)CC.C(C(=O)Cl)(=O)Cl.CS(=O)C>N(C1=CC=CC=C1)C1=C(NC=2CC(CC(C12)=O)C=O)C1=CC=NC=C1 | 3 |
OC1=CC=C(C=C1)C1(COC1)CC(=O)OCC.BrCC=1C=C(C=CC1)C1=C(C=C(C=C1)OCCCS(=O)(=O)C)C.BrCC=1C=C(C=CC1)C1=CC(=C(C(=C1)C)OCCCS(=O)(=O)C)C>>CC=1C=C(C=C(C1OCCCS(=O)(=O)C)C)C1=CC(=CC=C1)COC1=CC=C(C=C1)C1(COC1)CC(=O)OCC | 5 |
[Br:1][C:2]1[CH:3]=[C:4]([NH2:18])[C:5]([NH2:17])=[CH:6][C:7]=1[O:8][C:9]1[CH:14]=[CH:13][C:12]([F:15])=[CH:11][C:10]=1[F:16].[N:19]([O-])=O.[Na+]>C(O)(=O)C.C(OCC)(=O)C.O>[Br:1][C:2]1[C:7]([O:8][C:9]2[CH:14]=[CH:13][C:12]([F:15])=[CH:11][C:10]=2[F:16])=[CH:6][C:5]2[N:17]=[N:19][NH:18][C:4]=2[CH:3]=1 | 1 |
NC1=NC=CC=C1O.BrCCCCCl>O.CS(=O)C.[H-].[Na+]>NC1=NC=CC=C1OCCCCCl | 3 |
[O:1]([C:3]1[CH:4]=[C:5]([C:9]2[N:18]=[C:17]([C:19](O)=[O:20])[C:16]3[C:11](=[CH:12][CH:13]=[CH:14][CH:15]=3)[N:10]=2)[CH:6]=[CH:7][CH:8]=1)[CH3:2].Cl.[CH3:23][O:24][C:25]1[C:34]([O:35][CH3:36])=[CH:33][CH:32]=[C:31]2[C:26]=1[CH2:27][CH2:28][NH:29][CH2:30]2>>[O:1]([C:3]1[CH:4]=[C:5]([C:9]2[N:18]=[C:17]([C:19]([N:29]3[C... | 1 |
Cl.C1(=CC=CC=C1)NN.IC1=CC=NC(=C1C(=O)O)OC>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.OC1=CC=CC=2NN=NC21.Cl.CN(CCCN=C=NCC)C>IC1=CC=NC(=C1C(=O)NNC1=CC=CC=C1)OC | 3 |
C(OC([N:8]1[CH2:13][CH2:12][CH:11]([CH2:14][CH2:15][CH2:16][N:17]2[C:26](=[O:27])[C:25]3[C:20](=[C:21]([O:28][CH3:29])[CH:22]=[CH:23][CH:24]=3)[N:19]=[C:18]2[CH2:30][O:31][C:32]2[CH:37]=[CH:36][C:35]([Cl:38])=[CH:34][CH:33]=2)[CH2:10][CH2:9]1)=O)(C)(C)C>Cl.CCO>[ClH:38].[Cl:38][C:35]1[CH:34]=[CH:33][C:32]([O:31][CH2:30]... | 1 |
C1(CC1)C=O.C1(CC1)CSC1CCC(CC1)C#N>C1CCCO1.C(CCC)[Li].C(C)(C)NC(C)C>C1(CC1)C(C1(CCC(CC1)SCC1CC1)C#N)O | 3 |
[CH3:1][N:2]([CH3:49])[CH2:3][C:4]([N:6]1[C:14]2[C:9](=[CH:10][C:11]([O:46][CH3:47])=[C:12]([NH:15][C:16]3[N:17]=[C:18]([NH:35][C:36]4[CH:44]=[CH:43][CH:42]=[C:41]([F:45])[C:37]=4[C:38]([NH2:40])=[O:39])[C:19]4[CH:24]=[CH:23][N:22](S(C5C=CC(C)=CC=5)(=O)=O)[C:20]=4[N:21]=3)[CH:13]=2)[CH2:8][C@@H:7]1[CH3:48])=[O:5].[OH-]... | 1 |
NC1=CC=C(C=C1)N1CCN(CC1)CC1=CC=C(C=C1)CNC(C)=O>>C(C)(=O)NC1=CC=C(C=C1)N1CCN(CC1)CC1=CC=C(C=C1)CNC(C)=O | 5 |
Br[C:2]1[CH:3]=[CH:4][C:5]([N:8]2[CH2:12][CH2:11][C:10]3([CH2:17][CH2:16][O:15][CH2:14][CH2:13]3)[C:9]2=[O:18])=[N:6][CH:7]=1.[CH3:19][C@H:20]1[CH2:24][CH2:23][CH2:22][N:21]1[C@H:25]1[CH2:29][CH2:28][NH:27][CH2:26]1.CC(C)([O-])C.[Na+]>C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.C1C=C... | 1 |
C1=CC=CC=2OC3=CC=CC=C3N(C12)[C@@H]1[C@@H]2[C@H](COC1)OS(O2)=O>N(C)(C)C=O.[N-]=[N+]=[N-].[Na+].[Cl-].[NH4+]>N(=[N+]=[N-])[C@@H]1COC[C@@H]([C@H]1O)N1C2=CC=CC=C2OC=2C=CC=CC12 | 3 |
[C:1]1([CH3:11])[CH:6]=[CH:5][C:4]([S:7]([OH:10])(=[O:9])=[O:8])=[CH:3][CH:2]=1.[O:12]([CH:19]([CH3:22])[CH2:20][NH2:21])[C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1.[C:23]1([CH2:29][C:30]#[N:31])[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=1.O.CCOCC>C(O)C>[C:1]1([CH3:11])[CH:2]=[CH:3][C:4]([S:7]([OH:10])(=[O:8])=[O:9])=[CH... | 1 |
[CH3:1][C:2]1([CH3:12])[O:6][C:5](=[CH:7][C:8](Cl)=[O:9])[C:4](=[O:11])[O:3]1.[F:13][C:14]1[CH:23]=[CH:22][C:17]([CH2:18][NH:19][O:20][CH3:21])=[C:16]([C:24]([F:27])([F:26])[F:25])[CH:15]=1>>[CH3:1][C:2]1([CH3:12])[O:6][C:5](=[CH:7][C:8]([N:19]([CH2:18][C:17]2[CH:22]=[CH:23][C:14]([F:13])=[CH:15][C:16]=2[C:24]([F:27])(... | 1 |
C(C)(C)(C)OC(=O)N1CCC(CC1)=O.COC1=CC=C(CN)C=C1.[N+](=O)([O-])C=CC1=CC=CC=C1>>COC1=CC=C(CN2C=C(C=3CNCCC32)C3=CC=CC=C3)C=C1 | 5 |
[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][N:11]([C:14]2C(=O)N(CC(C)C)N=C(C3C=CC(C)=C(F)C=3)C=2C)[CH2:10][CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[F:34][C:35]1[CH:36]=[C:37]([C:43]2[C:44](C)=[C:45](OS(C)(=O)=O)[C:46](=[O:53])[N:47]([CH2:49][CH:50]([CH3:52])[CH3:51])[N:48]=2)[CH:38]=[CH:39][C:40]=1[O:41][CH3:42].N1(C(OC(C... | 1 |
Cl.C(CCC)C1=CC=C(C=C1)NC1=CC=NC2=C(C=CC=C12)OC>C1(=CC=CC=C1)C.O.[Al](Cl)(Cl)Cl>O.Cl.C(CCC)C1=CC=C(C=C1)NC1=CC=NC2=C(C=CC=C12)O | 3 |
C(C1=CC=CC=C1)Br.OC1=C(C2=CC=CC=C2C=C1)O>>C(C1=CC=CC=C1)OC1=C(C=CC2=CC=CC=C12)O | 5 |
CC=1C(=O)NC(C1C)=O>N(C)(C)C=O.CCN(CC)CC.C(C(C)C)OC(=O)Cl>C(C(C)C)OC(=O)N1C(C(=C(C1=O)C)C)=O | 3 |
O=C1NC(CCC1N1C(N(C2=C1C=CC(=C2)N2CCC(CC2)CN2CCC(CC2)CC2CCN(CC2)CCOC=2N=C(C1=C(N2)C(=C(N=C1)C1=CC(=CC2=CC=C(C(=C12)CC)F)OCOC)F)N1CC2CCC(C1)N2C(=O)OC(C)(C)C)C(C)C)=O)=O>ClCCl.Cl.O(C(C)(C)C)C.C(C)(=O)OCC>C12CN(CC(CC1)N2)C=2C1=C(N=C(N2)OCCN2CCC(CC2)CC2CCN(CC2)CC2CCN(CC2)C2=CC3=C(N(C(N3C(C)C)=O)C3C(NC(CC3)=O)=O)C=C2)C(=C(N=... | 3 |
CNN.O=C1C2C(=CC=CC=2)C(=O)[N:6]1[N:15]([CH2:23][CH3:24])[C:16](=[O:22])[O:17][C:18]([CH3:21])([CH3:20])[CH3:19]>C1COCC1>[CH2:23]([N:15]([C:16]([O:17][C:18]([CH3:19])([CH3:21])[CH3:20])=[O:22])[NH2:6])[CH3:24] | 1 |
C(C)(=O)OC(C)(C)C.C1=C(C=C(C(=C1I)O)I)C[C@@H](C(=O)O)N>C(O)([O-])=O.[Na+].Cl(=O)(=O)(=O)O>IC=1C=C(C[C@H](N)C(=O)OC(C)(C)C)C=C(C1O)I | 3 |
CS(=O)(=O)Cl.C(CC=C)[Si](C(CC(C)C)O)(C1=CC=CC=C1)C1=CC=CC=C1>ClCCl.CCN(CC)CC.[N-]=[N+]=[N-].[Na+]>N(=[N+]=[N-])C(CC(C)C)[Si](C1=CC=CC=C1)(C1=CC=CC=C1)CCC=C | 3 |
FC=1C=C(C=O)C=CC1F>>FC=1C=C(C=O)C=CC1OC | 5 |
F[C:2]1[CH:7]=[C:6]([C:8]2[N:9]([CH2:22][CH2:23][O:24][CH3:25])[C:10]([S:20][CH3:21])=[N:11][C:12]=2[C:13]2[CH:18]=[CH:17][C:16]([F:19])=[CH:15][CH:14]=2)[CH:5]=[CH:4][N:3]=1.[CH2:26]([N:33]1[CH2:38][CH2:37][CH:36]([NH2:39])[CH2:35][CH2:34]1)[C:27]1[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=1>C(OCC)(=O)C>[CH2:26]([N:33]1[CH... | 2 |
COC1=NC=NC(=C1N)OC>ClCCl.C(=S)(N1C(C=CC=C1)=O)N1C(C=CC=C1)=O>N(=C=S)C=1C(=NC=NC1OC)OC | 3 |
Cl.S(N)(OC[C@H]1[C@H](C[C@@H](C1)N1C=CC2=C1N=CN=C2N[C@H]2CCC1=CC=CC=C21)O)(=O)=O>O>S(N)(OC[C@H]1[C@H](C[C@@H](C1)N1C=CC2=C1N=CN=C2N[C@H]2CCC1=CC=CC=C21)O)(=O)=O | 3 |
CI.C(C)(C)(C)OC(=O)NC1=C(C(=O)O)C=CC=C1F>N(C)(C)C=O.C(=O)([O-])[O-].[Cs+].[Cs+]>COC(C1=C(C(=CC=C1)F)NC(=O)OC(C)(C)C)=O | 3 |
[N:1]([CH2:4][C:5]1[CH:10]=[CH:9][N:8]=[C:7]([C:11]([O:13][CH3:14])=[O:12])[CH:6]=1)=[N+]=[N-]>CO.[Pd]>[NH2:1][CH2:4][C:5]1[CH:10]=[CH:9][N:8]=[C:7]([C:11]([O:13][CH3:14])=[O:12])[CH:6]=1 | 1 |
COC(C(C(NC(=O)C1=CNC2=NC=C(N=C21)C2CC2)C2CC2)(C)C)=O>C1CCCO1.CO[H].O[Li].O>C1(CC1)C(C(C(=O)O)(C)C)NC(=O)C1=CNC2=NC=C(N=C21)C2CC2 | 3 |
[NH2:1][CH2:2][CH:3]1[CH2:6][C:5]2([CH2:10][CH2:9][N:8]([C:11]([O:13][C:14]([CH3:17])([CH3:16])[CH3:15])=[O:12])[CH2:7]2)[CH2:4]1.[C:18](=O)([O:30]C1C=CC([N+]([O-])=O)=CC=1)[O:19][CH2:20][C:21]1[O:25][N:24]=[C:23]([C:26](=[O:29])[NH:27][CH3:28])[CH:22]=1.C(N(CC)C(C)C)(C)C>>[CH3:28][NH:27][C:26]([C:23]1[CH:22]=[C:21]([C... | 1 |
[C:1]12([C:11](=[O:13])[CH3:12])[CH2:10][CH:5]3[CH2:6][CH:7]([CH2:9][CH:3]([CH2:4]3)[CH2:2]1)[CH2:8]2.[C]=O.O=O.[C:18]([OH:21])(=[O:20])C>>[C:18]([C:3]12[CH2:4][CH:5]3[CH2:6][CH:7]([CH2:8][C:1]([C:11](=[O:13])[CH3:12])([CH2:10]3)[CH2:2]1)[CH2:9]2)([OH:21])=[O:20] | 2 |
[Cl:1][C:2]1[N:3]=[C:4]([N:12]2[CH2:16][CH2:15][C@H:14]([NH:17]C(=O)OC(C)(C)C)[CH2:13]2)[C:5]2[N:11]=[CH:10][CH:9]=[CH:8][C:6]=2[N:7]=1.[NH2:25][C:26]1[CH:27]=[C:28]([CH:31]=[C:32]([NH2:34])[CH:33]=1)[C:29]#[N:30].C(=O)([O-])[O-].[Cs+].[Cs+]>C([O-])(=O)C.[Pd+2].C([O-])(=O)C.O1CCOCC1>[ClH:1].[ClH:1].[NH2:25][C:26]1[CH:2... | 2 |
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