smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
[Cl:1][C:2]1[C:3]([N:13]2[CH2:18][CH2:17][NH:16][CH2:15][CH2:14]2)=[N:4][CH:5]=[C:6]([CH:12]=1)[C:7]([O:9][CH2:10][CH3:11])=[O:8].[N:19]([CH2:22][C:23]1[CH:28]=[CH:27][C:26]([CH3:29])=[CH:25][CH:24]=1)=[C:20]=[O:21]>>[Cl:1][C:2]1[C:3]([N:13]2[CH2:18][CH2:17][N:16]([C:20]([NH:19][CH2:22][C:23]3[CH:28]=[CH:27][C:26]([CH3... | 2 |
[CH3:1][O:2][C:3]1[CH:11]=[C:10]2[C:6]([C:7]([C:12](=[O:17])[C:13]([CH3:16])([CH3:15])[CH3:14])=[N:8][NH:9]2)=[CH:5][CH:4]=1.Br[CH2:19][C:20]([O:22][CH2:23][CH3:24])=[O:21].C(=O)([O-])[O-].[Cs+].[Cs+]>CN(C=O)C.CCOCC.O.Cl>[CH3:15][C:13]([CH3:14])([CH3:16])[C:12]([C:7]1[C:6]2[C:10](=[CH:11][C:3]([O:2][CH3:1])=[CH:4][CH:5... | 1 |
[Cl-].ClC=[N+](C)C.OC1=CC=C(C=C1)C=1SC=C(N1)C(=O)O>>OC1=CC=C(C=C1)C=1SC=C(N1)C(=O)N | 5 |
NC=1SC2=C(N1)C=CC(=C2)OC.ClC1=NC=C(C(=N1)NC1=C(C=CC=C1)P(C)(C)=O)Cl>[Pd+2].[O-]C(=O)C.[O-]C(=O)C.O1CCOCC1.C1(=CC=CC=C1)P(C1=CC=CC=2C(C3=CC=CC(=C3OC12)P(C1=CC=CC=C1)C1=CC=CC=C1)(C)C)C1=CC=CC=C1.C(=O)([O-])[O-].[Cs+].[Cs+]>ClC=1C(=NC(=NC1)NC=1SC2=C(N1)C=CC(=C2)OC)NC2=C(C=CC=C2)P(C)(C)=O | 3 |
ClC1=CC(=C(C=N1)C1=CC=C(C=C1)N1C(CCC1)=O)C1CC1.NC1=CC2=C(OC[C@H]3N2C(C2(C3)CC2)=O)N=C1>O1CCOCC1.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.[Pd].[Pd].C(=O)([O-])[O-].[Cs+].[Cs+].CC(C)C1=CC(=C(C(=C1)C(C)C)C2=C(C=CC(=C2P(C3CCCCC3)C4CCCCC4)OC)OC)C(C)C>C1(CC1)... | 3 |
[Cl:1][C:2]1[CH:7]=[C:6]([Cl:8])[CH:5]=[CH:4][C:3]=1[C:9]1[C:27](=[O:28])[N:26]([CH3:29])[C:12]2[N:13]([CH3:25])[C:14]3[C:19]([C:11]=2[CH:10]=1)=[CH:18][C:17]([C:20]1[N:21]=[N:22][NH:23][CH:24]=1)=[CH:16][CH:15]=3.[H-].[Na+].C1OCCOC2C(=CC=CC=2)OCCOCCOC2[C:35](=CC=CC=2)[O:34][CH2:33]1.COCBr>CN(C=O)C.O>[Cl:1][C:2]1[CH:7]... | 1 |
NC1=C(C#N)C(=CC=C1)F.OC[C@H]1CN(CCC1)C(CC(C)C)=O>C1CCCO1.[H-].[Na+]>NC1=C(C#N)C(=CC=C1)OC[C@H]1CN(CCC1)C(CC(C)C)=O | 3 |
CC1C=CC(S(O[CH2:12][CH:13]2[CH2:17][C:16]3[CH:18]=[CH:19][CH:20]=[C:21]([C:22]4[CH:27]=[CH:26][CH:25]=[CH:24][C:23]=4[CH3:28])[C:15]=3[O:14]2)(=O)=O)=CC=1.[N-:29]=[N+:30]=[N-:31].[Na+].N(CC1CC2C=C(Cl)C=C(C3C=CSC=3)C=2O1)=[N+]=[N-]>>[N:29]([CH2:12][CH:13]1[CH2:17][C:16]2[CH:18]=[CH:19][CH:20]=[C:21]([C:22]3[CH:27]=[CH:2... | 2 |
C(C)(C)(C)OC(N(C([2H])([2H])[2H])C(\C=C\C(=O)N1CCN2C3=C(OC[C@@H]1C2)C=C2C(=N3)C(=NC=N2)NC2=C(C=C(C(=C2)C)OC2=CC=3N(C=C2)N=CN3)F)([2H])[2H])=O>ClCCl.C(=O)(C(F)(F)F)O.C(O)([O-])=O.[Na+]>N=1C=NN2C1C=C(C=C2)OC2=CC(=C(C=C2C)NC2=NC=NC1=CC=3OC[C@H]4N(CCN(C3N=C12)C4)C(\C=C\C([2H])([2H])NC([2H])([2H])[2H])=O)F | 3 |
N(=[N+]=[N-])C1CC(CCC1=O)C=1C=C(C#N)C=C(C1)F>C1CCCO1.[Na+].[BH4-]>N(=[N+]=[N-])C1CC(CCC1O)C=1C=C(C#N)C=C(C1)F | 3 |
[C:1]([C:3]1[C:4]2[S:25][C:24](Br)=[CH:23][C:5]=2[C:6]([NH:9][C@H:10]2[CH2:15][CH2:14][CH2:13][N:12]([C:16]([O:18][C:19]([CH3:22])([CH3:21])[CH3:20])=[O:17])[CH2:11]2)=N[CH:8]=1)#[N:2].[CH:27]([C:29]1[CH:30]=[C:31](B(O)O)[CH:32]=[CH:33][CH:34]=1)=[O:28].[C:38](=O)([O-])[O-].[Cs+].[Cs+]>O1CCOCC1.O.C1C=CC([P]([Pd]([P](C2... | 2 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]([CH:14]=[CH:15][CH:16]=1)[CH2:6][CH2:7][NH:8][C:9](=O)[O:10]CC>O>[CH3:1][O:2][C:3]1[CH:4]=[C:5]2[C:14](=[CH:15][CH:16]=1)[C:9](=[O:10])[NH:8][CH2:7][CH2:6]2 | 1 |
[NH2:1][C:2]1[C:3]2[C:10]([C:11]3[CH:12]=[C:13]([OH:18])[CH:14]=[CH:15][C:16]=3[F:17])=[CH:9][N:8]([C@H:19]3[CH2:22][C@@H:21]([CH2:23][N:24]4[CH2:29][CH2:28][S:27](=[O:31])(=[O:30])[CH2:26][CH2:25]4)[CH2:20]3)[C:4]=2[N:5]=[CH:6][N:7]=1.[O:32]1[CH2:36][CH2:35][CH2:34][C@@H:33]1[CH2:37]O>>[O:30]=[S:27]1(=[O:31])[CH2:28][... | 2 |
[F:1][C:2]([F:21])([F:20])[C:3]1[CH:4]=[C:5]([C:9]2[CH:18]=[CH:17][C:16]3[C:11](=[C:12]([NH2:19])[CH:13]=[CH:14][CH:15]=3)[N:10]=2)[CH:6]=[CH:7][CH:8]=1.CCN(C(C)C)C(C)C.[N:31]1[CH:36]=[CH:35][CH:34]=[CH:33][C:32]=1[S:37](Cl)(=[O:39])=[O:38].C([O-])(O)=O.[Na+]>C(Cl)Cl>[F:21][C:2]([F:1])([F:20])[C:3]1[CH:4]=[C:5]([C:9]2[... | 1 |
OCC1CCNCC1.FC1=CC2=C(CC(O2)(C)CO)C=C1[N+](=O)[O-]>CC#N>OCC1(OC2=C(C1)C=C(C(=C2)N2CCC(CC2)CO)[N+](=O)[O-])C | 3 |
COC1=CC=C(CN2C(C(CCC2=O)N2C3=C(C4=CC=C(C=C24)[N+](=O)[O-])C=CC=N3)=O)C=C1>>[N+](=O)([O-])C1=CC=C2C3=C(N(C2=C1)C1C(NC(CC1)=O)=O)N=CC=C3 | 5 |
[CH2:1]([NH:17][C:18]1[CH:30]=[CH:29][C:21]([C:22]([O:24][CH2:25][CH:26]2[O:28][CH2:27]2)=[O:23])=[CH:20][CH:19]=1)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH3:16].S(=O)(=O)(O)[OH:32].COCCOC>O>[CH2:1]([NH:17][C:18]1[CH:30]=[CH:29][C:21]([C:22]([O:24][CH2:2... | 1 |
BrCC=C(C)C.COC(C1=CC(=C(C=C1)O)C(C)(C)C)=O>>COC(C1=CC(=C(C=C1)OCC=C(C)C)C(C)(C)C)=O | 5 |
C(CCC)C1=NC=2C(=NC3=C(NC2S1)C=CC=C3)N3C[C@@H](NCC3)CCC3=CC=CC=C3>>N.C(CCC)C1=NC=2C(=NC3=C(NC2S1)C=CC=C3)N3C[C@@H](N(CC3)C)CCC3=CC=CC=C3 | 5 |
C(#N)C1=NC=C(C=C1)F.FC(C(C)(C)O)(F)F>C([O-])([O-])=O.[Na+].[Na+].[H-].[Na+].CN(P(=O)(N(C)C)N(C)C)C>FC(C(OC=1C=CC(=NC1)C#N)(C)C)(F)F | 3 |
C(C)(C)(C)OC(=O)N1CCC(CC1)CCCBr.C(C=C)C1=CC=CC=2N=C(NC21)COC2=CC=C(C=C2)Cl>N(C)(C)C=O.[H-].[Na+]>C(C=C)C1=CC=CC=2N(C(=NC21)COC2=CC=C(C=C2)Cl)CCCC2CCN(CC2)C(=O)OC(C)(C)C | 3 |
NC=1C(=C(C=CC1F)O)F.FC1=C(C(=O)O)C=C(C=C1C)C1=CC(=CC=C1)F>>FC1=C(C(=CC=C1O)F)NC(C1=C(C(=CC(=C1)C1=CC(=CC=C1)F)C)F)=O | 5 |
[Cl:1][C:2]1[CH:3]=[CH:4][C:5]2[N:6]([N:8]=[C:9]([N:11]([C:17]3[CH:22]=[CH:21][C:20]([S:23]([CH3:26])(=[O:25])=[O:24])=[CH:19][C:18]=3[O:27][CH3:28])[C:12](=[O:16])[O:13][CH2:14]Cl)[N:10]=2)[CH:7]=1.[C:29]([O:33][C:34]([N:36]([CH3:44])[C@@H:37]([CH:41]([CH3:43])[CH3:42])[C:38]([O-:40])=[O:39])=[O:35])([CH3:32])([CH3:31... | 2 |
C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.[F:20][C:21]1[CH:40]=[C:39]([CH3:41])[CH:38]=[CH:37][C:22]=1[NH:23][C:24]1[C:33]2[C:28](=[CH:29][C:30]([OH:36])=[C:31]([O:34][CH3:35])[CH:32]=2)[N:27]=[CH:26][N:25]=1.[C:42]([O:46][C:47]([N:49]1[CH2:54][CH2:53][CH:52]([CH2:55]O)[CH2:51][CH2:50]1)=[O:48])([CH3:45])([CH3:44])[CH3:43... | 1 |
C(C)OC([C@H](CCC(=O)OCC)NC(=O)C=1OC(=CC1)CCCCC1=CC2=C(N=C(NC2=O)N)N1)=O>O>NC=1NC(C2=C(N1)NC(=C2)CCCCC2=CC=C(O2)C(=O)N[C@H](C(=O)O)CCC(=O)O)=O | 3 |
C(C1=CC=CC=C1)(C1=CC=CC=C1)OC(=O)C1(CC1)O\N=C(/C(=O)N[C@H]1[C@H](N(C1=O)S(=O)(=O)O)CN1C(O[C@@H](C1)CNC(=O)OC(C)(C)C)=O)\C=1N=C(SC1)NC(=O)OC(C)(C)C>ClCCl.C(=O)(C(F)(F)F)O>NC[C@@H]1CN(C(O1)=O)C[C@H]1N(C([C@H]1NC(\C(\C=1N=C(SC1)N)=N/OC1(CC1)C(=O)O)=O)=O)S(=O)(=O)O | 3 |
CO[CH:3]1[CH:7]=[CH:6][CH:5](OC)[O:4]1.[NH2:10][CH:11]([CH2:17][SH:18])[C:12]([O:14][CH2:15][CH3:16])=[O:13]>C(#N)C.S(Cl)(C1C=CC(C)=CC=1)(=O)=O>[NH2:10][CH:11]([CH2:17][S:18][C:5]1[O:4][CH:3]=[CH:7][CH:6]=1)[C:12]([O:14][CH2:15][CH3:16])=[O:13] | 1 |
[F:1][C:2]1[CH:3]=[C:4]([CH:14]([CH3:42])[C:15]([O:17][CH2:18][CH2:19][C:20]2([CH3:41])[O:25][C:24]3[C:26]([CH3:40])=[C:27]([CH3:39])[C:28]([O:31]CC4C=CC=CC=4)=[C:29]([CH3:30])[C:23]=3[CH2:22][CH2:21]2)=[O:16])[CH:5]=[CH:6][C:7]=1[C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1.CCCCCC>C(OCC)(=O)C.[Pd]>[F:1][C:2]1[CH:3]=[C:... | 1 |
C([O:5][C:6]([C:8]1[C:9](=[O:15])[NH:10][C:11]([CH3:14])=[CH:12][CH:13]=1)=[O:7])(C)(C)C.C([N-]C(C)C)(C)C.[Li+].[CH2:24]([O:31][C:32]1[CH:37]=[CH:36][CH:35]=[CH:34][C:33]=1[CH2:38]CCC1C=CC(C(O)=O)=CC=1)[C:25]1[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=1.[Cl-].[NH4+]>C1COCC1>[CH2:24]([O:31][C:32]1[CH:37]=[CH:36][CH:35]=[CH:3... | 1 |
C1(CCC1)=O.BrC1=CC=C(C=C1)NC(C(F)(F)F)=O>C1CCCO1.C(CCC)[Li].[Cl-].[NH4+]>FC(C(=O)NC1=CC=C(C=C1)C1(CCC1)O)(F)F | 3 |
C(OC([NH:8][CH2:9][CH2:10][NH:11][C:12]([C:14]1[CH:31]=[CH:30][C:17]([O:18][C@@H:19]2[CH2:24][CH2:23][C@H:22]([C:25]([O:27][CH2:28][CH3:29])=[O:26])[CH2:21][CH2:20]2)=[CH:16][CH:15]=1)=[O:13])=O)(C)(C)C.[ClH:32].O1CCOCC1>O1CCOCC1>[ClH:32].[NH2:8][CH2:9][CH2:10][NH:11][C:12]([C:14]1[CH:31]=[CH:30][C:17]([O:18][C@@H:19]2... | 2 |
[OH:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]([C:28]2[CH:33]=[CH:32][C:31]([OH:34])=[CH:30][CH:29]=2)=[C:9]([C:13]2[CH:18]=[CH:17][C:16]([O:19][CH2:20][CH2:21][CH2:22][C:23]([O:25]CC)=[O:24])=[CH:15][CH:14]=2)[CH2:10][CH2:11][CH3:12])=[CH:4][CH:3]=1.[OH-].[Na+].CCO>C1COCC1>[OH:34][C:31]1[CH:30]=[CH:29][C:28]([C:8]([C:5]2[CH:4]=... | 2 |
C1COCC1.[CH3:6][O:7][C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][C:9]=1[Mg]Br.[Cl:16][CH2:17][Si:18]([CH3:21])([CH3:20])Cl>O>[Cl:16][CH2:17][Si:18]([C:9]1[CH:10]=[CH:11][CH:12]=[CH:13][C:8]=1[O:7][CH3:6])([CH3:21])[CH3:20] | 2 |
NC1=C(C=C(C=2N1C=C(N2)C)C(=O)NCC2CCN(CC2)CC(C(C)(C)C)=O)Cl>>NC1=C(C=C(C=2N1C=C(N2)C)C(=O)NCC2CCN(CC2)CC(C(C)(C)C)O)Cl | 5 |
[F:1][C:2]1[C:11]2[C:6](=[CH:7][C:8]([C@H:12]3[CH2:17][CH2:16][C@H:15]([CH2:18][CH2:19][CH3:20])[CH2:14][CH2:13]3)=[CH:9][CH:10]=2)[CH:5]=[CH:4][C:3]=1[C:21]1[CH:26]=[CH:25][C:24](F)=[C:23]([F:28])[CH:22]=1.BrC1C=CC([O:36]C)=C(F)C=1>>[F:1][C:2]1[C:11]2[C:6](=[CH:7][C:8]([C@H:12]3[CH2:17][CH2:16][C@H:15]([CH2:18][CH2:19... | 1 |
[C:1]([C:3]1[CH:25]=[CH:24][C:6]([CH2:7][NH:8][C:9](=[O:23])[CH:10]([O:20][CH2:21][CH3:22])[C:11]2[CH:16]=[CH:15][C:14]([O:17][CH3:18])=[CH:13][C:12]=2[F:19])=[C:5]([OH:26])[CH:4]=1)#[N:2].Cl[C:28]1[CH:33]=[CH:32][C:31]([N+:34]([O-:36])=[O:35])=[CH:30][N:29]=1.C(=O)([O-])[O-].[Cs+].[Cs+]>CS(C)=O>[C:1]([C:3]1[CH:25]=[CH... | 1 |
FC1=CC2=C(NC(O2)=O)C=C1C(=O)O.ClC1=C(OCC2CCNCC2)C=CC(=C1)F>N(C)(C)C=O.O.ClCCl.C(C)(C)N(C(C)C)CC.O.ON1N=NC2=C1C=CC=C2.CCN=C=NCCCN(C)C>ClC1=C(OCC2CCN(CC2)C(=O)C=2C(=CC3=C(NC(O3)=O)C2)F)C=CC(=C1)F | 3 |
C(#N)C1=C(C=CC=C1)C1=CC=C(C=C1)CC1=C(N=C(N(C1=O)C1=CC=C(OC(C(=O)OCC)(C)C)C=C1)CC)CCC>>C(C)C=1N(C(C(=C(N1)CCC)CC1=CC=C(C=C1)C=1C(=CC=CC1)C#N)=O)C1=CC=C(C=C1)OC(CO)(C)C | 5 |
ClC1=NC=CC(=C1C#N)I.CC1=NC(=CC=C1N)OC1=CC=CC=C1>O.[Pd+2].[O-]C(=O)C.[O-]C(=O)C.O1CCOCC1.C(=O)([O-])[O-].[Cs+].[Cs+].C1(=CC=CC=C1)P(C1=C(C=CC=C1)OC1=C(C=CC=C1)P(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1>ClC1=C(C#N)C(=CC=N1)NC=1C(=NC(=CC1)OC1=CC=CC=C1)C | 3 |
C[O:2][C:3]1[N:8]=[CH:7][C:6]([N:9]2[CH2:14][CH2:13][CH:12]([N:15]3[CH2:19][CH2:18][C@@H:17]([NH:20][C:21](=[O:36])[CH2:22][NH:23][C:24](=[O:35])[C:25]4[CH:30]=[CH:29][CH:28]=[C:27]([C:31]([F:34])([F:33])[F:32])[CH:26]=4)[CH2:16]3)[CH2:11][CH2:10]2)=[CH:5][CH:4]=1.CO[C:39]1N=CC(N)=C[CH:40]=1>>[NH2:8][C:3]([C:4]1[CH:5]=... | 1 |
[NH2:1][C:2]1[N:10]=[CH:9][CH:8]=[CH:7][C:3]=1[C:4](O)=[O:5].CC[N:13]=C=NCCCN(C)C.C1C=CC2N(O)N=NC=2C=1.[Cl-].[NH4+].C(N(C(C)C)CC)(C)C>O.CS(C)=O>[NH2:1][C:2]1[N:10]=[CH:9][CH:8]=[CH:7][C:3]=1[C:4]([NH2:13])=[O:5] | 1 |
NC[C@H](C)O.ClC1=C(C=CC=C1C1=C(C(=CC=C1)C1=CC=2N(C(C(=CN2)C=O)=O)C=C1)Cl)C1=CC=C(C(=N1)OC)CN(C(OC(C)(C)C)=O)C[C@H]1NC(CC1)=O>C1CCCO1.CO[H].C(C)(=O)O.C(#N)[BH3-].[Na+]>ClC1=C(C=CC=C1C1=C(C(=CC=C1)C1=CC=2N(C(C(=CN2)CNC[C@H](C)O)=O)C=C1)Cl)C1=CC=C(C(=N1)OC)CN(C(OC(C)(C)C)=O)C[C@H]1NC(CC1)=O | 3 |
BrC=1C=C(C(=NC1C)NC[C@@H]1OC(OC1)(C)C)[N+](=O)[O-]>O.[Fe].CCO[H].[Cl-].[NH4+]>BrC=1C=C(C(=NC1C)NC[C@@H]1OC(OC1)(C)C)N | 3 |
[CH:1]12[C:13](=O)[CH:5]3[C:6]4[CH:12]=[CH:11][CH:10]=[CH:9][C:7]=4[CH:8]1[CH:2]2[C:3]1[CH:18]=[CH:17][CH:16]=[CH:15][C:4]=13.[CH3:19][NH2:20].[BH4-].[Na+]>CO.C(O)C>[CH3:19][NH:20][CH:1]1[CH:8]2[C:2]3[C:3]([CH2:18][CH:17]=[CH:16][CH:15]=3)=[C:4]3[CH:13]1[CH:5]3[C:6]1[CH:12]=[CH:11][CH:10]=[CH:9][C:7]=12 | 1 |
C(OC([N:8]1[CH2:17][C:16]2[CH:18]=[C:19]([Cl:22])[CH:20]=[CH:21][C:15]=2[N:14]2[C:10](=[N:11][N:12]=[C:13]2[Br:23])[CH2:9]1)=O)(C)(C)C.Cl>[OH-].[Na+]>[Br:23][C:13]1[N:14]2[C:10]([CH2:9][NH:8][CH2:17][C:16]3[CH:18]=[C:19]([Cl:22])[CH:20]=[CH:21][C:15]=32)=[N:11][N:12]=1 | 1 |
Cl[S:2]([C:5]1[CH:6]=[C:7]([CH:11]=[CH:12][C:13]=1[F:14])[C:8]([OH:10])=[O:9])(=[O:4])=[O:3].C([O-])(O)=O.[Na+].[F:20][C:21]([F:25])([F:24])[CH2:22][NH2:23].[ClH:26]>O>[Cl:26][C:11]1[CH:12]=[C:13]([F:14])[C:5]([S:2]([NH:23][CH2:22][C:21]([F:25])([F:24])[F:20])(=[O:4])=[O:3])=[CH:6][C:7]=1[C:8]([OH:10])=[O:9] | 1 |
C(C=C)Br.OC1=CC=C(CO)C=C1>>C(C=C)OC1=CC=C(C=C1)CO | 5 |
[Cl:1][C:2]1[C:3]([N:13]2[CH2:18][CH2:17][NH:16][CH2:15][CH2:14]2)=[N:4][CH:5]=[C:6]([CH:12]=1)[C:7]([O:9][CH2:10][CH3:11])=[O:8].C(N(CC)CC)C.[C:26]1([S:32]([N:35]=[C:36]=[O:37])(=[O:34])=[O:33])[CH:31]=[CH:30][CH:29]=[CH:28][CH:27]=1>C1COCC1>[Cl:1][C:2]1[C:3]([N:13]2[CH2:18][CH2:17][N:16]([C:36]([NH:35][S:32]([C:26]3[... | 2 |
FC12CC(C1)(C2)C(=O)O.BrC=1C(=C(C=NC1)N)NC>N(C)(C)C=O.ClCCl.C(C)(C)N(C(C)C)CC.[Cl-].[NH4+].F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>BrC=1C2=C(C=NC1)N=C(N2C)C21CC(C2)(C1)F | 3 |
[CH2:1]([N:8]1[CH2:13][CH2:12][O:11][CH:10]([C:14]([C:24]2[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=2)([OH:23])[CH2:15][C:16]2[CH:21]=[CH:20][CH:19]=[CH:18][C:17]=2Br)[CH2:9]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[C:30]1(B(O)O)[CH:35]=[CH:34][CH:33]=[CH:32][CH:31]=1.C([O-])([O-])=O.[K+].[K+]>C(O)C.O>[CH2:1]([N:8]1[CH2:... | 1 |
C(C)(=O)OC(C)=O.CSC=1C(=NC(=NC1)C1=CC=C(C=C1)NC(OC1=CC=CC=C1)=O)N1CCOCC1>O(O[H])[H]>CS(=O)C=1C(=NC(=NC1)C1=CC=C(C=C1)NC(OC1=CC=CC=C1)=O)N1CCOCC1 | 3 |
C(O[C:4](=[O:8])[O:5][CH2:6][CH3:7])C.[H-].[Na+].[Si:11]([O:28][C:29]1[CH:38]=[CH:37][CH:36]=[C:35]2[C:30]=1[CH2:31][CH2:32][CH2:33][C:34]2=[O:39])([C:24]([CH3:27])([CH3:26])[CH3:25])([C:18]1[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=1)[C:12]1[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=1>C1(C)C=CC=CC=1>[Si:11]([O:28][C:29]1[CH:38... | 1 |
ClC=1C(=NC(=CC1)F)F>S(O)(O)(=O)=O.[N+](=O)(O)[O-]>ClC=1C(=NC(=C(C1)[N+](=O)[O-])F)F | 3 |
ClC=1SC(=C2C1CN(C2)C(=O)OC(C)(C)C)Cl>O.CO[H].[Pd]C.C(=O)[O-].[NH4+]>CC(C)(OC(=O)N1CC=2C(C1)=CSC2)C | 3 |
[C:1]1([C:7]2[S:8][C:9]([C:12](=O)[CH3:13])=[CH:10][N:11]=2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.CC(C)([O-])C.[K+].[C:21](OCC)(=O)[C:22]([O:24][CH2:25][CH3:26])=[O:23].C(O)(=O)C.O.[NH2:36][NH2:37]>O1CCCC1>[CH2:25]([O:24][C:22]([C:21]1[NH:36][N:37]=[C:12]([C:9]2[S:8][C:7]([C:1]3[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=3)=[N:11][C... | 1 |
[CH2:1]([NH:4][CH2:5][CH2:6][C:7]([O:9][CH2:10][CH3:11])=[O:8])[CH:2]=[CH2:3].[CH:12]1[CH:17]=[CH:16][C:15]([CH2:18][O:19][C:20](Cl)=[O:21])=[CH:14][CH:13]=1>C(Cl)Cl>[CH2:1]([N:4]([C:20]([O:19][CH2:18][C:15]1[CH:16]=[CH:17][CH:12]=[CH:13][CH:14]=1)=[O:21])[CH2:5][CH2:6][C:7]([O:9][CH2:10][CH3:11])=[O:8])[CH:2]=[CH2:3] | 2 |
C(CCC)[Sn](C=1C=NC=CC1)(CCCC)CCCC.COC(=O)C=1C(=C2C=C(C(N(C2=C(N1)Br)C)=O)C1=CC=CC=C1)O>N(C)(C)C=O.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]>COC(=O)C=1C(=C2C=C(C(N(C2=C(N1)C=1C=NC=CC1)C)=O)C1=CC=CC=C1)O | 3 |
ICCC.C(C)C1=C(C(=C2C(=N1)SC1=C2CCCC1)C1=CC=C(C=C1)C)CC(=O)OCC>>C(C)C1=C(C(=C2C(=N1)SC1=C2CCCC1)C1=CC=C(C=C1)C)C(C(=O)OCC)CCC | 5 |
Cl.N1N=NN=C1C=1C=C2C(CC3(CCNCC3)OC2=CC1)=O.C(C)OC=1C=C(C(=O)O)C=C(C1C1=CC(=NC=C1)F)OCC>>C(C)OC=1C=C(C=C(C1C1=CC(=NC=C1)F)OCC)C(=O)N1CCC2(CC1)OC1=CC=C(C=C1C(C2)=O)C2=NN=NN2 | 5 |
COC1=CC=C(C=C1)NC1=NC=CC(=N1)C1=CC=C(S1)C(=O)NCCC1=CC=CC=C1>ClCCl.B(Br)(Br)Br>OC1=CC=C(C=C1)NC1=NC=CC(=N1)C1=CC=C(S1)C(=O)NCCC1=CC=CC=C1 | 3 |
C(C)(C)(C)[Si](C)(C)Cl.OCC1=CC=C(C=O)C=C1>>[Si](C)(C)(C(C)(C)C)OCC1=CC=C(C=O)C=C1 | 5 |
[NH:1]1[C:5]2[CH:6]=[CH:7][CH:8]=[CH:9][C:4]=2[N:3]=[C:2]1[NH:10][CH:11]1[CH2:16][CH2:15][N:14]([C:17]([O:19][CH3:20])=[O:18])[CH2:13][CH:12]1[CH3:21].Cl[CH2:23][C:24]1[CH:29]=[CH:28][C:27]([F:30])=[CH:26][CH:25]=1.C(=O)([O-])[O-].[Na+].[Na+]>CN(C)C=O>[F:30][C:27]1[CH:28]=[CH:29][C:24]([CH2:23][N:1]2[C:5]3[CH:6]=[CH:7]... | 1 |
FC=1C=CC=2N(C3=CC=C(C=C3C2C1)F)CC(CNCC(C)NC(OC(C)(C)C)=O)O>CC(C)(C)[O-].[K+].C1CCCO1.C(C)(=O)O>FC=1C=CC=2N(C3=CC=C(C=C3C2C1)F)CC(CN1C(NC(C1)C)=O)O | 3 |
[Cl:1][C:2]1[CH:7]=[C:6]([O:8][CH3:9])[CH:5]=[CH:4][C:3]=1[NH:10][C:11](=O)[C:12]1[CH:17]=[CH:16][C:15]([O:18][CH3:19])=[CH:14][CH:13]=1.COC1C=CC(P2(SP(C3C=CC(OC)=CC=3)(=S)S2)=[S:30])=CC=1>ClC1C=CC=CC=1>[Cl:1][C:2]1[CH:7]=[C:6]([O:8][CH3:9])[CH:5]=[CH:4][C:3]=1[NH:10][C:11](=[S:30])[C:12]1[CH:17]=[CH:16][C:15]([O:18][C... | 2 |
[CH2:1]([O:8][C:9](=[O:33])[NH:10][C@H:11]1[CH2:15][CH2:14][C@H:13]([O:16][CH2:17][C:18]([C:26]2[CH:31]=[CH:30][C:29]([CH3:32])=[CH:28][CH:27]=2)=CC2C=CC=CC=2)[CH2:12]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[O:34]=[O+][O-]>ClCCl>[CH2:1]([O:8][C:9](=[O:33])[NH:10][C@H:11]1[CH2:15][CH2:14][C@H:13]([O:16][CH2:17][C:18]... | 1 |
[Br:1][C:2]1[CH:3]=[CH:4][C:5]2[C:11]3[S:12][C:13]([C:15]([NH:17][C:18]4[CH:23]=[CH:22][CH:21]=[CH:20][C:19]=4[Cl:24])=O)=[CH:14][C:10]=3[CH2:9][CH2:8][O:7][C:6]=2[CH:25]=1.COC1C=CC(P2(SP(C3C=CC(OC)=CC=3)(=S)S2)=[S:35])=CC=1>O1CCOCC1>[Br:1][C:2]1[CH:3]=[CH:4][C:5]2[C:11]3[S:12][C:13]([C:15](=[S:35])[NH:17][C:18]4[CH:23... | 1 |
[NH2:1][C:2]1[CH:7]=[C:6]([Cl:8])[C:5]([S:9]([Cl:12])(=[O:11])=[O:10])=[CH:4][C:3]=1[S:13](Cl)(=[O:15])=[O:14].CN.[CH2:19]([N:21](CC)CC)C>O1CCCC1.C1C=CC=CC=1>[NH2:1][C:2]1[CH:7]=[C:6]([Cl:8])[C:5]([S:9]([Cl:12])(=[O:11])=[O:10])=[CH:4][C:3]=1[S:13]([NH:21][CH3:19])(=[O:15])=[O:14] | 1 |
[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([C:8]([O:10]C(CC)C)=O)=[N:6][CH:7]=1.[CH2:15]([NH2:18])[CH2:16][NH2:17].[Cl-].[Na+].Cl>COC(C)(C)C.C(Cl)Cl>[ClH:1].[NH2:17][CH2:16][CH2:15][NH:18][C:8]([C:5]1[CH:4]=[CH:3][C:2]([Cl:1])=[CH:7][N:6]=1)=[O:10] | 1 |
[Cl:1][C:2]1[CH:24]=[CH:23][C:5]([C:6]([NH:8][CH:9]([C:16]([C:18]2[CH:22]=[CH:21][O:20][CH:19]=2)=[O:17])[CH2:10][C:11]([O:13][CH2:14][CH3:15])=[O:12])=O)=[CH:4][CH:3]=1.P(Cl)(Cl)(Cl)=O>C(Cl)(Cl)Cl>[Cl:1][C:2]1[CH:24]=[CH:23][C:5]([C:6]2[O:17][C:16]([C:18]3[CH:22]=[CH:21][O:20][CH:19]=3)=[C:9]([CH2:10][C:11]([O:13][CH2... | 1 |
C(C1=CC=CC=C1)N([C@H](CO)CC1=CC=CC=C1)CC1=CC=CC=C1>ClCCl.CCN(CC)CC.C(C(=O)Cl)(=O)Cl.CS(=O)C>C(C1=CC=CC=C1)N([C@H](C=O)CC1=CC=CC=C1)CC1=CC=CC=C1 | 3 |
Cl.NN.C(C1=CC=CC=C1)O[C@H]1C(O[C@@H]([C@H]1OCC1=CC=CC=C1)COCC1=CC=CC=C1)C(C#N)=CN(C)C>>C(C1=CC=CC=C1)O[C@H]1C(O[C@@H]([C@H]1OCC1=CC=CC=C1)COCC1=CC=CC=C1)C(C#N)=CNN | 5 |
C(#N)CCCCCCCCC(C(=O)OCC1=CC=CC=C1)C1CCCC1>CO[H].[HH].[Pd]C>C(#N)CCCCCCCCC(C(=O)O)C1CCCC1 | 3 |
C(OC(=O)[NH:10][C:11]1[CH:16]=[CH:15][CH:14]=[C:13]([CH:17]([N:27]([C:32]([O:34][C:35]([CH3:38])([CH3:37])[CH3:36])=[O:33])[CH2:28][CH2:29][O:30][CH3:31])[CH2:18][O:19][Si:20]([C:23]([CH3:26])([CH3:25])[CH3:24])([CH3:22])[CH3:21])[CH:12]=1)C1C=CC=CC=1>Cl>[NH2:10][C:11]1[CH:12]=[C:13]([CH:17]([N:27]([CH2:28][CH2:29][O:3... | 1 |
COC(C1=C(C=C(C(=C1)[N+](=O)[O-])Cl)NC(CC=1SC=CC1)=O)=O>C1CCCO1.C[Si](C)(C)[N-][Si](C)(C)C.[Na+]>ClC1=C(C=C2C(=C(C(NC2=C1)=O)C=1SC=CC1)O)[N+](=O)[O-] | 3 |
COC1=NNC(=C1C1=NC=CC=C1)N.O1COC2=C1C=CC(=C2)C(CC(=O)OCC)=O>C1(=CC=C(C=C1)S(=O)(=O)O)C.C(CCC)O>O1COC2=C1C=CC(=C2)C=2NC=1N(C(C2)=O)N=C(C1C1=NC=CC=C1)OC | 3 |
FC1=CC=CC(=N1)C1C(N(C(O1)=O)C(=O)OC(C)(C)C)CC1=CC(=CC=C1)OC(C(F)F)(F)F>>FC1=CC=CC(=N1)C(C(CC1=CC(=CC=C1)OC(C(F)F)(F)F)NC(OC(C)(C)C)=O)O | 5 |
ClC=1C=C(N)C=CC1F.C(C)C1=NC=CC(=C1O)C=O>CC#N.FC(CO)(F)F>ClC=1C=C(C=CC1F)N=CC1=C(C(=NC=C1)CC)O | 3 |
[C:1]([C:3]1[C:19]([OH:20])=[C:18]([OH:21])[CH:17]=[C:16]([C:22]#[N:23])[C:4]=1[CH2:5][C:6]1[CH:11]=[CH:10][C:9]([CH2:12][C:13]([OH:15])=O)=[CH:8][CH:7]=1)#[N:2].[CH2:24]([NH:26][CH2:27][CH3:28])[CH3:25].S(Cl)(Cl)=O>>[C:1]([C:3]1[C:19]([OH:20])=[C:18]([OH:21])[CH:17]=[C:16]([C:22]#[N:23])[C:4]=1[CH2:5][C:6]1[CH:11]=[CH... | 2 |
Br[C:2]1[S:10][C:9]2[C:8](=[O:11])[N:7]([CH:12]3[CH2:17][CH2:16][N:15]([C:18]([O:20][C:21]([CH3:24])([CH3:23])[CH3:22])=[O:19])[CH2:14][CH2:13]3)[C:6](=[O:25])[N:5]([CH2:26][C:27]3[N:28]=[N:29][N:30]([CH2:32][CH3:33])[N:31]=3)[C:4]=2[CH:3]=1.[O:34]1[C:38]2[CH:39]=[CH:40][C:41](B(O)O)=[CH:42][C:37]=2[O:36][CH2:35]1.C(=O... | 1 |
BrCC(=O)C1=CC=CC=C1>CC#N.[F-].[K+]>FCC(=O)C1=CC=CC=C1 | 3 |
C(C1=CC=CC=C1)N1C(=CC=2C(=NC=CC21)OC)C>>COC1=NC=CC2=C1C=C(N2)C | 5 |
C(C)OP(OCC)(=O)C(F)(F)Br.BrC=1C=C(C=C(C1)F)S>CC#N.O.[OH-].[K+]>BrC=1C=C(C=CC1F)SC(F)F | 3 |
Cl[CH:2]([CH:13]1[CH2:18][CH2:17][CH2:16][CH2:15][CH2:14]1)[C:3]1[S:4][C:5]2[CH:12]=[CH:11][CH:10]=[CH:9][C:6]=2[C:7]=1[CH3:8].[NH2:19][C:20]1[CH:21]=[CH:22][C:23]([C:26]([O:28][CH3:29])=[O:27])=[N:24][CH:25]=1.[I-].[Na+].C(=O)([O-])[O-].[Na+].[Na+].[Cl-].[NH4+]>CN(C)C=O>[CH:13]1([CH:2]([NH:19][C:20]2[CH:21]=[CH:22][C:... | 1 |
C(C)(=O)OC(C)(C)C.CC1=NN2C(C=CC=C2)=C1C(=O)OCC>C1CCCO1.C(CCC)[Li].C(C)(C)N(C(C)C)CC>CC1=NN2C(C=CC=C2)=C1C(CC(=O)OC(C)(C)C)=O | 3 |
C(CC)OC[C@H]1N(C[C@@H](C1)OC1=CC=C(C=C1)C(F)(F)F)C1=CC=C(C(=O)OCC)C=C1>O.CO[H].Cl.O[Li].O>C(CC)OC[C@H]1N(C[C@@H](C1)OC1=CC=C(C=C1)C(F)(F)F)C1=CC=C(C(=O)O)C=C1 | 3 |
BrC1=CC=C(C#N)C=C1.N1C=CC2=C(C=CC=C12)/C=C/C=1C=NC(=NC1)N>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.C1(=CC=CC=C1)P(C1=CC=CC=2C(C3=CC=CC(=C3OC12)P(C1=CC=CC=C1)C1=CC=CC=C1)(C)C)C1=CC=CC=C1.C(=O)([O-])[O-].[Cs+].[Cs+]>N1C=CC2=C(C=CC=C12)/C=C/C=1C=NC(... | 3 |
C1(=CC=CC=C1)C(CC)O.ClC=1C2=C(C(N(N1)C)=O)N(C=C2)C2=C(C=C(C=C2C)C)C>>C1(=C(C(=CC(=C1)C)C)N1C=CC2=C1C(N(N=C2OC(CC)C2=CC=CC=C2)C)=O)C | 5 |
FC=1C=C(N)C=CC1OC1=CC=NC2=CC(=C3C(=C12)OCCO3)OC.C(C)OC1=C(C(N(C=C1)C1CCCCC1)=O)C(=O)Cl>N(C)(C)C=O.O.ClCCl.CCN(CC)CC>C1(CCCCC1)N1C(C(=C(C=C1)OCC)C(=O)NC1=CC(=C(C=C1)OC1=CC=NC2=CC(=C3C(=C12)OCCO3)OC)F)=O | 3 |
[N+:1]([C:4]1[S:8][C:7]([C:9]([O:11][CH3:12])=[O:10])=[C:6]([O:13][C@@H:14]([C:16]2[CH:21]=[CH:20][CH:19]=[CH:18][C:17]=2[C:22]([F:25])([F:24])[F:23])[CH3:15])[CH:5]=1)([O-])=O>C(O)(=O)C.C(Cl)Cl.[Fe].[Fe].C(O)(=O)C>[NH2:1][C:4]1[S:8][C:7]([C:9]([O:11][CH3:12])=[O:10])=[C:6]([O:13][C@@H:14]([C:16]2[CH:21]=[CH:20][CH:19]... | 2 |
C([Li])CCC.C(NC(C)C)(C)C.[CH:13]1([C:16]([O:18][C:19]([CH3:22])([CH3:21])[CH3:20])=[O:17])[CH2:15][CH2:14]1.[Br:23][C:24]1[CH:25]=[C:26]([CH:29]=[CH:30][C:31]=1[Cl:32])[CH:27]=[O:28].[Cl-].[NH4+]>CCCCCC.C1COCC1>[Br:23][C:24]1[CH:25]=[C:26]([CH:27]([OH:28])[C:13]2([C:16]([O:18][C:19]([CH3:22])([CH3:21])[CH3:20])=[O:17])... | 1 |
[C:1]1([C:7]([NH:9][CH:10]2[CH2:15][CH:14]([C:16]3[CH:21]=[CH:20][C:19]([O:22][C:23]([F:26])([F:25])[F:24])=[CH:18][CH:17]=3)[CH2:13][N:12]([C:27](OC3C=CC([N+]([O-])=O)=CC=3)=[O:28])[CH2:11]2)=[O:8])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[NH:39]1[CH2:44][CH2:43][CH:42]([OH:45])[CH2:41][CH2:40]1.C(=O)([O-])[O-].[K+].[K+]>CN... | 1 |
[N:1]1[C:9]([NH2:10])=[C:8]2[C:4]([N:5]([CH2:11][O:12][CH2:13][CH2:14][P:15](=[O:20])([O-:19])[O:16]CC)[CH:6]=[N:7]2)=[N:3][CH:2]=1.[NH4+].CO.O>CN(C=O)C>[N:1]1[C:9]([NH2:10])=[C:8]2[C:4]([N:5]([CH2:11][O:12][CH2:13][CH2:14][P:15](=[O:16])([OH:19])[OH:20])[CH:6]=[N:7]2)=[N:3][CH:2]=1 | 1 |
COC(C(C(CC(=O)OC)=O)=C(COC)OC)=O>>COC(C1=C(N=C(C=C1O)O)COC)=O | 5 |
[Br-].[CH2:2]([N+:18]1[CH:22]=[CH:21][N:20]([CH2:23][C:24]2[CH:29]=[CH:28][C:27]([C:30]3[O:31][C:32]([C:35]4[CH:40]=[CH:39][CH:38]=[CH:37][CH:36]=4)=[CH:33][N:34]=3)=[CH:26][CH:25]=2)[CH:19]=1)[CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH3:17].[N-:41]([S:49... | 1 |
C(C)OC1=C(CO)C(=CC=C1)OCC>C1CCCO1.P(Br)(Br)Br>C(C)OC1=C(CBr)C(=CC=C1)OCC | 3 |
[CH3:1][C:2]1[CH:3]=[C:4]([C:9]2[CH:14]=[CH:13][C:12]([C:15]([OH:17])=O)=[CH:11][CH:10]=2)[CH:5]=[CH:6][C:7]=1[CH3:8].[N:18]1[CH:23]=[CH:22][CH:21]=[C:20]([CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][NH2:30])[CH:19]=1>>[CH3:1][C:2]1[CH:3]=[C:4]([C:9]2[CH:10]=[CH:11][C:12]([C:15]([NH:30][CH2:29][CH2:28][CH2:27][CH2:... | 1 |
CC(CC)(C)N.BrC1=C(C=CC=C1)S(=O)(=O)Cl>ClCCl>BrC1=C(C=CC=C1)S(=O)(=O)NC(CC)(C)C | 3 |
NC1=NC(C2=C(N1)NC=C2CCC2=CC=C(C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=C2)=O>>[Na+].[Na+].NC1=NC(C2=C(N1)NC=C2CCC2=CC=C(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C=C2)=O.C([C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)O | 5 |
FC(OC1=CC=C(C(=O)Cl)C=C1)(F)F.NC(C#N)(COC=1C=C(C2=C(B(OC2)O)C1Cl)F)C>C1CCCO1.C(C)(C)N(C(C)C)CC>ClC1=C(C=C(C2=C1B(OC2)O)F)OCC(C)(C#N)NC(C2=CC=C(C=C2)OC(F)(F)F)=O | 3 |
[CH:1]1([NH:4][C:5]2[N:6]=[C:7]3[CH:30]=[CH:29][N:28]=[CH:27][C:8]3=[N:9][C:10]=2[N:11]2[CH2:16][CH2:15][CH:14]([CH:17]([C:19]3[CH:24]=[CH:23][C:22]([F:25])=[CH:21][C:20]=3[F:26])O)[CH2:13][CH2:12]2)[CH2:3][CH2:2]1.CCN(S(F)(F)[F:37])CC>C(Cl)Cl>[CH:1]1([NH:4][C:5]2[N:6]=[C:7]3[CH:30]=[CH:29][N:28]=[CH:27][C:8]3=[N:9][C:... | 2 |
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