smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
COC(=O)N1C=CC2=CC(=CC=C12)C1(C(N(C(C1)=O)CC1=CC=CC=C1)=O)CC1=CC=CC=C1>>C(C1=CC=CC=C1)N1C(C(CC1=O)(C=1C=C2C=CNC2=CC1)CC1=CC=CC=C1)=O | 5 |
[CH3:1][O:2][C:3]1[CH:8]=[C:7]([O:9][CH3:10])[CH:6]=[CH:5][C:4]=1[NH:11][C:12]1[CH:20]=[CH:19][CH:18]=[C:14]([C:15]([OH:17])=O)[C:13]=1[C:21]([OH:23])=O.Br.[NH2:25][C@@:26]1([CH3:34])[CH2:31][CH2:30][C:29](=[O:32])[NH:28][C:27]1=[O:33]>N1C=CC=CC=1>[CH3:1][O:2][C:3]1[CH:8]=[C:7]([O:9][CH3:10])[CH:6]=[CH:5][C:4]=1[NH:11]... | 1 |
Cl.BrC1=C(CC2CCNCC2)C=C(C=C1)OC.C(C)(C)(C)OC(=O)N[C@@H]1CC[C@H](CC1)CCC(=O)O>N(C)(C)C=O.CCN(CC)CC.Cl.C(C)N=C=NCCCN(C)C.OC1=CC=CC=2NN=NC21>BrC1=C(CC2CCN(CC2)C(CC[C@@H]2CC[C@H](CC2)NC(OC(C)(C)C)=O)=O)C=C(C=C1)OC | 3 |
[NH2:1][C:2]1[C:11]2[N:12]=[C:13]([CH2:20][CH2:21][O:22][CH3:23])[N:14]([CH2:15][C:16]([OH:19])([CH3:18])[CH3:17])[C:10]=2[C:9]2[CH:8]=[CH:7][C:6]([OH:24])=[CH:5][C:4]=2[N:3]=1.C(=O)([O-])[O-].[Cs+].[Cs+].Br[CH2:32][CH2:33][N:34]1[CH:38]=[CH:37][CH:36]=[CH:35]1.[Cl-].[Na+]>O>[NH2:1][C:2]1[C:11]2[N:12]=[C:13]([CH2:20][C... | 1 |
C(C)(C)(C)OC(=O)N1C(CN(CC1)C1=CC=C(C=C1)C1=C(N=C(O1)C1=C2C=CNC2=C(C=C1)C(F)(F)F)C(=O)O)(C)C>N(C)(C)C=O.O1CCOCC1.N.OC1=CC=CC=2NN=NC21.Cl.CN(CCCN=C=NCC)C>C(C)(C)(C)OC(=O)N1C(CN(CC1)C1=CC=C(C=C1)C1=C(N=C(O1)C1=C2C=CNC2=C(C=C1)C(F)(F)F)C(N)=O)(C)C | 3 |
C(C)(C)(C)OC(=O)N1C(CCC1)C1=NC2=C(N1)C=C(C=C2)B2OC(C(O2)(C)C)(C)C.C(C)(C)(C)OC(=O)N1C(CCC1)C=1NC(=CN1)C=1C=CC2=C(COC3=CC(=CC=C23)Br)C1>O.C([O-])([O-])=O.[K+].[K+].COCCOC.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C1=CC=C(C=C1)P(... | 3 |
Cl.C1CC12CCNCC2.N1=NN(C2=NC=CC=C21)OC2=C(C(=O)NC1=CC(=CC=C1)S(N)(=O)=O)C=C(C=N2)C(F)(F)F>C([O-])([O-])=O.[K+].[K+].CN(C(C)=O)C>C1CC12CCN(CC2)C2=C(C(=O)NC1=CC(=CC=C1)S(N)(=O)=O)C=C(C=N2)C(F)(F)F | 3 |
CC(C(=O)OC)(C)C1=CC=C(C=C1)[N+](=O)[O-]>CO[H].[HH].[Pd]>COC(C(C)(C)C1=CC=C(C=C1)N)=O | 3 |
[CH3:1][C:2]1[CH:7]=[CH:6][C:5]([N:8]2[CH2:13][CH2:12][O:11][CH2:10][CH2:9]2)=[CH:4][C:3]=1[N+:14]([O-])=O.[Cl-].[NH4+]>[Zn].CO>[CH3:1][C:2]1[CH:7]=[CH:6][C:5]([N:8]2[CH2:13][CH2:12][O:11][CH2:10][CH2:9]2)=[CH:4][C:3]=1[NH2:14] | 1 |
[C:1]1([S:7]([CH2:10][C:11]2[CH:16]=[CH:15][CH:14]=[C:13]([O:17][CH2:18][CH2:19][Cl:20])[C:12]=2[N+:21]([O-])=O)(=[O:9])=[O:8])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.O.NN>C(O)C.[Pd]>[C:1]1([S:7]([CH2:10][C:11]2[CH:16]=[CH:15][CH:14]=[C:13]([O:17][CH2:18][CH2:19][Cl:20])[C:12]=2[NH2:21])(=[O:9])=[O:8])[CH:2]=[CH:3][CH:4]=[C... | 1 |
[C:1]([C:4]1[C:12]2[C:7](=[CH:8][CH:9]=[CH:10][CH:11]=2)[N:6]([CH2:13][C:14]([OH:16])=O)[N:5]=1)(=[O:3])[NH2:2].Cl.[Cl:18][C:19]1[CH:24]=[C:23]([F:25])[C:22]([F:26])=[CH:21][C:20]=1[C:27]1[CH:32]=[CH:31][CH:30]=[C:29]([NH:33][C:34]([C@@H:36]2[CH2:40][C@@H:39]([F:41])[CH2:38][NH:37]2)=[O:35])[C:28]=1[F:42].CN(C(ON1N=NC2... | 2 |
Br[C:2]1[CH:7]=[CH:6][C:5]([O:8][CH3:9])=[C:4]([O:10][CH2:11][CH3:12])[CH:3]=1.C([Li])CCC.[CH3:18][O:19][C:20]1[CH:21]=[C:22]([CH:25]=[CH:26][CH:27]=1)[CH:23]=[O:24].C(O)(C)C>C1COCC1.O>[CH2:11]([O:10][C:4]1[CH:3]=[C:2]([CH:23]([C:22]2[CH:25]=[CH:26][CH:27]=[C:20]([O:19][CH3:18])[CH:21]=2)[OH:24])[CH:7]=[CH:6][C:5]=1[O:... | 1 |
C(CSCCSCCO)O.C1(CCCCC1)N1N(C(=C(C1=O)NC(=O)C1=NOC(=C1C)C#CC(C)(C)C)C)C>>C1(CCCCC1)N1N(C(=C(C1=O)NC(=O)C1=NOC(=C1C)\C=C/C(C)(C)C)C)C | 5 |
BrN1C(=O)CCC1=O.CN(C=O)C.[Cl:14][C:15]1[CH:16]=[C:17]([C:21]2[NH:47][C:24]3=[N:25][CH:26]=[C:27]([NH:29][C:30](=[O:46])[C:31]4[C:36]([F:37])=[CH:35][CH:34]=[C:33]([NH:38][S:39]([CH2:42][CH2:43][CH3:44])(=[O:41])=[O:40])[C:32]=4[F:45])[CH:28]=[C:23]3[CH:22]=2)[CH:18]=[CH:19][CH:20]=1.FC1C(NS(CCC)(=O)=O)=CC=C(F)C=1C(NC1C... | 1 |
C1(=CC=CC=C1)[Li].BrC1=CC=2C(C3=CC=CC=C3C(C2C=C1)=O)=O>>BrC1=CC=2C(C3=CC=CC=C3C(C2C=C1)O)O | 5 |
[N+](C1C=CC(C2[S:14]C(CCC(OC)=O)=NC=2)=CC=1)([O-])=O.[CH3:21][C:22]([CH3:44])([CH2:27][CH2:28][C:29]([NH:31][CH2:32][C:33]([C:35]1[CH:40]=[CH:39][C:38]([N+:41]([O-:43])=[O:42])=[CH:37][CH:36]=1)=O)=O)[C:23]([O:25][CH3:26])=[O:24].COC1C=CC(P2(SP(C3C=CC(OC)=CC=3)(=S)S2)=S)=CC=1>>[CH3:21][C:22]([CH3:44])([CH2:27][CH2:28][... | 2 |
Br[C:2]1[CH:3]=[CH:4][C:5]([CH:8]([OH:11])[CH2:9][OH:10])=[N:6][CH:7]=1.[F:12][C:13]1[CH:14]=[C:15]([N:28]2[CH2:32][C@H:31]([CH2:33][N:34]3[CH:38]=[CH:37][N:36]=[N:35]3)[O:30][C:29]2=[O:39])[CH:16]=[CH:17][C:18]=1B1OC(C)(C)C(C)(C)O1.C(=O)([O-])[O-].[Na+].[Na+]>>[OH:11][CH:8]([C:5]1[N:6]=[CH:7][C:2]([C:18]2[CH:17]=[CH:1... | 2 |
C([O-])(=O)C.[NH4+:5].[C:6]1([CH2:12][O:13][C:14](=[O:24])[CH2:15][C:16]2[CH2:21][CH2:20][CH2:19][C:18](=O)[C:17]=2O)[CH:11]=[CH:10][CH:9]=[CH:8][CH:7]=1.[C:25]1([C@H:31]([NH2:33])[CH3:32])[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=1.[CH:34](=O)[CH:35]([CH3:37])[CH3:36]>C(O)(=O)C.C(Cl)(Cl)Cl>[CH3:37][CH:35]([C:34]1[N:33]([C... | 1 |
[Li]CCCC.CCCCCC.[F:12][C:13]1[CH:14]=[C:15]([C:19]2[CH:20]=[C:21]3[CH:27]=[CH:26][NH:25][C:22]3=[N:23][CH:24]=2)[CH:16]=[CH:17][CH:18]=1.[CH3:28][C:29]([Si:32](Cl)([CH3:34])[CH3:33])([CH3:31])[CH3:30]>C1COCC1.CN(C1C=CN=CC=1)C>[C:29]([Si:32]([CH3:34])([CH3:33])[N:25]1[C:22]2=[N:23][CH:24]=[C:19]([C:15]3[CH:16]=[CH:17][C... | 1 |
S(=O)(=O)(OC)OC.CC1=C(O)C=CC=C1O>>CC1=C(C=CC=C1OC)O | 5 |
C(#C)C=1C(=CC=C2C=C(C=C(C12)C1=C(C=2N=C(N=C(C2C=N1)N1CC2CCC(C1)N2C(=O)OC(C)(C)C)OC[C@H]2N([C@@H](CC2)COC(=O)OC2=CC=C(C=C2)[N+](=O)[O-])C)F)OCOC)F.C(=O)O.O=C1N(CC2=CC(=CC=C12)N1CCNCC1)C1C(NC(CC1)=O)=O>C1CCCO1.C1(=CC=NC=C1)N(C)C.CCN(CC)CC>O=C1NC(CCC1N1C(C2=CC=C(C=C2C1)N1CCN(CC1)C(=O)OC[C@@H]1CC[C@H](N1C)COC=1N=C(C2=C(N1)... | 3 |
ClC=1C=CC(N(N1)C1=CC=C2C=C(C=NC2=C1)C)=O>[Pd+2].[O-]C(=O)C.[O-]C(=O)C.O1CCOCC1.B1(OC(C(O1)(C)C)(C)C)B2OC(C(O2)(C)C)(C)C.P(c2ccccc2c1c(cc(cc1C(C)C)C(C)C)C(C)C)(C3CCCCC3)C4CCCCC4>CC=1C=NC2=CC(=CC=C2C1)N1N=C(C=CC1=O)B1OC(C(O1)(C)C)(C)C | 3 |
[NH:1]1[CH2:11][CH2:10][CH:4]([C:5]([O:7]CC)=O)[CH2:3][CH2:2]1.Br[CH2:13][CH2:14][CH2:15][CH3:16].C(=O)([O-])[O-].[K+].[K+].[H-].[Al+3].[Li+].[H-].[H-].[H-].[OH-].[Na+]>C(O)C.CCOCC.O>[CH2:13]([N:1]1[CH2:2][CH2:3][CH:4]([CH2:5][OH:7])[CH2:10][CH2:11]1)[CH2:14][CH2:15][CH3:16] | 1 |
OC1=CC=C(C=O)C=C1>O.[Cl-].[Na+].C(C)(=O)O.[I-].[K+].I(=O)(=O)(=O)[O-].[Na+]>IC=1C=C(C=O)C=C(C1O)I | 3 |
C[C:2]1[CH:7]=[CH:6][C:5]([C:8]#[C:9]CO)=[C:4]([C:12](=[O:19])[C:13]2[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=2)[C:3]=1C.[OH-].[Na+]>C1(C)C=CC=CC=1>[C:8]([C:5]1[CH:6]=[CH:7][CH:2]=[CH:3][C:4]=1[C:12]([C:13]1[CH:14]=[CH:15][CH:16]=[CH:17][CH:18]=1)=[O:19])#[CH:9] | 1 |
C(C)(C)OC(C)C.N1=C2C(=CC=C1)CCCCC2N>CO[H].ClCCl.C(C)(=O)OCC.N>N1=C2C(=CC=C1)CCCC[C@H]2NC(C)=O | 3 |
C1(=CC=CC=C1)[Se]Cl.C(C)(C)(C)OC(NC1(CC(C(C(C1)C#N)=O)(C)C)C)=O>ClCCl.c1ccncc1>C(C)(C)(C)OC(NC1(C=C(C(C(C1)(C)C)=O)C#N)C)=O | 3 |
[C:1]([O:5][C:6]([N:8]1[CH2:20][C@@H:19]([CH3:21])[N:18]2[C@H:10]([CH2:11][C:12]3[C:17]2=[N:16][C:15]([CH2:22][OH:23])=[CH:14][CH:13]=3)[CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[H-].[Na+].Br[CH2:27][CH:28]1[CH2:30][CH2:29]1.C(=O)(O)[O-].[Na+]>CN(C)C=O.C(OCC)(=O)C>[C:1]([O:5][C:6]([N:8]1[CH2:20][C@@H:19]([CH3:21])[N:18... | 1 |
BrCC1CC1.BrC1=C2C=NNC2=CC(=C1)C(=O)NC1=C(C=CC=C1)CC(=O)OCC>>BrC1=C2C=NN(C2=CC(=C1)C(=O)NC1=C(C=CC=C1)CC(=O)OCC)CC1CC1.NCC=1C=C(C=CC1)C1=C2C=NN(C2=CC(=C1)C(=O)NC1=C(C=CC=C1)CC(=O)O)CC1CC1 | 5 |
COC(C1=CN=CC(=C1)C1=CC(=C(C=C1)Cl)Cl)=O>C1CCCO1.[H-].[Al+3].[Li+].[H-].[H-].[H-]>ClC=1C=C(C=CC1Cl)C=1C=C(C=NC1)CO | 3 |
ClCCNC(NC1CN(CCC1)C(=O)OC(C)(C)C)=O>O.C1CCCO1.[H-].[Na+]>O=C1N(CCN1)C1CN(CCC1)C(=O)OC(C)(C)C | 3 |
[F:1][C:2]1[C:7]([F:8])=[C:6]([NH:9][C:10]2[CH:15]=[CH:14][C:13]([I:16])=[CH:12][C:11]=2[F:17])[C:5]([NH2:18])=[CH:4][CH:3]=1.[CH3:19][C:20]1[O:21][C:22]([CH3:29])=[CH:23][C:24]=1[S:25](Cl)(=[O:27])=[O:26]>>[F:8][C:7]1[C:6]([NH:9][C:10]2[CH:15]=[CH:14][C:13]([I:16])=[CH:12][C:11]=2[F:17])=[C:5]([NH:18][S:25]([C:24]2[CH... | 1 |
C(C#C)OC=1C=C(CN2C(C3=CC(=CC=C3C2)C=2C=NN(C2)C2OCCCC2)=O)C=CC1>ClCCl.C(=O)(C(F)(F)F)O>C(C#C)OC=1C=C(CN2C(C3=CC(=CC=C3C2)C=2C=NNC2)=O)C=CC1 | 3 |
[CH3:1][C:2]1[CH:3]=[C:4]([C:9]2[N:10]=[C:11]([NH2:20])[S:12][C:13]=2[C:14]2[CH:19]=[CH:18][N:17]=[CH:16][CH:15]=2)[CH:5]=[C:6]([CH3:8])[CH:7]=1.C[CH2:22][CH2:23][C:24](Cl)=[O:25].[C:27](=O)([O-])O.[Na+]>CN(C)C1C=CN=CC=1.CN(C)C(=O)C>[CH3:1][C:2]1[CH:3]=[C:4]([C:9]2[N:10]=[C:11]([NH:20][C:24](=[O:25])[CH:23]([CH3:27])[C... | 2 |
FC=1C=C2C(=NNC2=CC1OCCOC)C1=CC(=NO1)C1=CC=C(C(=O)N2CCN(CC2)C(=O)OC(C)(C)C)C=C1>Cl.O1CCOCC1>Cl.FC=1C=C2C(=NNC2=CC1OCCOC)C1=CC(=NO1)C1=CC=C(C=C1)C(=O)N1CCNCC1 | 3 |
COC1=C(C(=C(C=C1)CO)C)C>>ClCC1=C(C(=C(C=C1)OC)C)C | 5 |
BrCCC.C12(CC3(CC(CC(C1)C3)C2)C(=O)O)C(=O)O>CC#N.C1CCC2=NCCCN2CC1>C12(CC3(CC(CC(C1)C3)C2)C(=O)OCCC)C(=O)OCCC | 3 |
CC1N(CCC1)C1=CC=CC(=N1)N.BrC=1C=2N(N=C(C1)C1=CC=C(C(=O)OC)C=C1)C=CN2>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+].C=1C=CC(=CC1)P(C=2C=CC=CC2)C3=CC=C4C=CC=CC4=C3C5=C6C=CC=CC6=CC=C5P(C=7C=CC=CC7)C=8C=CC=CC8>CC1N(CCC1)C1=CC=C... | 3 |
Cl.[CH3:2][O:3][C:4]1[CH:9]=[CH:8][C:7]([NH:10][NH2:11])=[CH:6][CH:5]=1.[C:12]([N:20]=[C:21]=[S:22])(=O)[C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1.C(N(CC)CC)C>ClCCl>[CH3:2][O:3][C:4]1[CH:9]=[CH:8][C:7]([N:10]2[C:12]([C:13]3[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=3)=[N:20][C:21]([SH:22])=[N:11]2)=[CH:6][CH:5]=1 | 1 |
[OH:1][C:2]1[CH:3]=[CH:4][C:5]([N+:12]([O-:14])=[O:13])=[C:6]([CH:11]=1)[C:7]([O:9][CH3:10])=[O:8].Br[CH2:16][CH2:17][CH2:18][Cl:19]>>[Cl:19][CH2:18][CH2:17][CH2:16][O:1][C:2]1[CH:3]=[CH:4][C:5]([N+:12]([O-:14])=[O:13])=[C:6]([CH:11]=1)[C:7]([O:9][CH3:10])=[O:8] | 1 |
CN1CCNCC1.ClC1=C2C(C(C(NC2=CC(=C1)Cl)=O)(C)C1=CC=C(C=C1)OC)=O>>ClC1=C2C(C(C(NC2=CC(=C1)N1CCN(CC1)C)=O)(C)C1=CC=C(C=C1)OC)=O | 3 |
C(=O)([O-])[O-].[K+].[K+].[Cl:7][C:8]1[C:16]([Cl:17])=[C:15]2[C:11]([CH2:12][C:13]([CH:20]3[CH2:24][CH2:23][CH2:22][CH2:21]3)([CH3:19])[C:14]2=[O:18])=[CH:10][C:9]=1[OH:25].Br[CH2:27][CH2:28][O:29][C:30]1[CH:37]=[CH:36][C:33]([C:34]#[N:35])=[CH:32][CH:31]=1>CC(C)=O>[Cl:7][C:8]1[C:16]([Cl:17])=[C:15]2[C:11]([CH2:12][C:1... | 2 |
[CH:1]1[CH:6]=[C:5]2[CH:7]=[C:8]([C:27]([OH:29])=[O:28])[C:9]([OH:26])=[C:10]([CH2:11][C:12]3[C:21]4[C:16](=[CH:17][CH:18]=[CH:19][CH:20]=4)[CH:15]=[C:14]([C:22]([OH:24])=[O:23])[C:13]=3[OH:25])[C:4]2=[CH:3][CH:2]=1.[Na+].[CH3:31][N:32]([CH2:34][CH2:35][CH2:36][N:37]1[C:47]2[CH:48]=[CH:49][CH:50]=[CH:51][C:46]=2[CH2:45... | 1 |
C([N:8]([C@H:16]([C@@H:24]([OH:42])[CH2:25][C@@H:26]([NH:34][C:35]([O:37][C:38]([CH3:41])([CH3:40])[CH3:39])=[O:36])[CH2:27][C:28]1[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=1)[CH2:17][C:18]1[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=1)CC1C=CC=CC=1)C1C=CC=CC=1.C([O-])=O.[NH4+]>CO>[NH2:8][C@H:16]([C@@H:24]([OH:42])[CH2:25][C@@H:2... | 1 |
CC1=C(C(=CC(=C1)C)C)S(=O)(=O)[O-].N[N+]1=C(C=C(C=C1Cl)Cl)N>C(C)(=O)OC(C)=O.C1(=CC=C(C=C1)S(=O)(=O)O)C>ClC1=CC(=CC=2N1N=C(N2)C)Cl | 3 |
CC1=CC=C(C(=O)O)C=C1>>[N+](=O)([O-])C=1C=C(C(=O)O)C=CC1C | 5 |
C1(CCCCC1)N.COC=1C=C(C=O)C=CC1>CC#N.C(C)(=O)O.C(#N)[BH3-].[Na+]>COC=1C=C(CNC2CCCCC2)C=CC1 | 3 |
[CH2:1]([N:8]1[CH2:13][CH2:12][CH:11]([N:14]([CH2:24][CH:25]2OCCO2)[C:15]([C:17]2[NH:18][C:19]([CH3:23])=[C:20]([Cl:22])[CH:21]=2)=[O:16])[CH2:10][CH2:9]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[OH-].[Na+]>CS(O)(=O)=O>[CH2:1]([N:8]1[CH2:13][CH2:12][CH:11]([N:14]2[CH:24]=[CH:25][C:21]3[C:20]([Cl:22])=[C:19]([CH3:23])[... | 2 |
[NH2:1][C:2]1[C:11]2[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=2)[CH:5]=[N:4][N:3]=1.[N:12]1[CH:17]=[CH:16][CH:15]=[C:14]([N:18]2[CH2:23][CH2:22][CH:21]([C:24](O)=[O:25])[CH2:20][CH2:19]2)[N:13]=1>>[C:2]1([NH:1][C:24]([CH:21]2[CH2:20][CH2:19][N:18]([C:14]3[N:13]=[N:12][CH:17]=[CH:16][CH:15]=3)[CH2:23][CH2:22]2)=[O:25])[C:11]2[C... | 2 |
[C:1]([O:5][C:6](=[O:21])[CH2:7][N:8]1[C:12]2=[N:13][CH:14]=[CH:15][CH:16]=[C:11]2[C:10]([C:17](=[NH:20])[NH:18]O)=[N:9]1)([CH3:4])([CH3:3])[CH3:2].CC(OC(C)=O)=O>[Pd].CC(O)=O>[C:1]([O:5][C:6](=[O:21])[CH2:7][N:8]1[C:12]2=[N:13][CH:14]=[CH:15][CH:16]=[C:11]2[C:10]([C:17](=[NH:18])[NH2:20])=[N:9]1)([CH3:4])([CH3:2])[CH3:... | 1 |
CN=C=O.CC1=CN=C(N1C1=CC=CC=C1)NC1=CC=CC=C1>C1=CC=CC=C1>CNC(=O)N(C=1N(C(=CN1)C)C1=CC=CC=C1)C1=CC=CC=C1 | 3 |
CNCC1=CC=CO1>O.ClCCl.C(=O)(C=1NC=CN1)C=1NC=CN1>O1C(=CC=C1)CN(C(=O)N1C=NC=C1)C | 3 |
O1CCOCC1.[Cl:7][CH:8]1[C:13](Cl)([NH2:14])[CH:12]=[N:11][CH:10]=[N:9]1.[CH3:16][NH2:17]>O>[Cl:7][C:8]1[N:9]=[CH:10][N:11]=[C:12]([NH:17][CH3:16])[C:13]=1[NH2:14] | 1 |
C[O:2][C:3]1[CH:12]=[C:11]([O:13][CH3:14])[CH:10]=[C:9]2[C:4]=1[C:5](=[O:15])[NH:6][CH:7]=[N:8]2.[Mg+2].[Br-].[Br-]>N1C=CC=CC=1>[OH:2][C:3]1[CH:12]=[C:11]([O:13][CH3:14])[CH:10]=[C:9]2[C:4]=1[C:5](=[O:15])[NH:6][CH:7]=[N:8]2 | 1 |
BrC=1C=C2C(=NC1N1C(=CC=C1C)C)C=CN2>O.ClCCl.[OH-].[Na+].[HH].C1(=CC=C(C=C1)S(=O)(=O)Cl)C.S(=O)(=O)(O)[O-].C(CCC)[N+](CCCC)(CCCC)CCCC>BrC=1C=C2C(=NC1N1C(=CC=C1C)C)C=CN2S(=O)(=O)C2=CC=C(C=C2)C | 3 |
OC=1C(=NC=CC1OC)C(=O)O.Cl.CC1(C(CC1)N)C>ClCCl.C(C)(C)N(C(C)C)CC.C1CCN(C1)[P+](N2CCCC2)(N3CCCC3)ON4C5=C(C=CC=C5)N=N4.F[P-](F)(F)(F)(F)F>CC1(C(CC1)NC(=O)C1=NC=CC(=C1O)OC)C | 3 |
O1C(CCCC1)OCCO.BrC=1N(C2=NC=NC(=C2N1)Cl)C1OCCCC1>C1CCCO1.CO[H].[H-].[Na+]>ClC1=C2N=C(N(C2=NC=N1)C1OCCCC1)OCCOC1OCCCC1 | 3 |
C=CC#N.[CH2:5]=[CH:6][C:7]1[CH:12]=[CH:11][CH:10]=[CH:9][CH:8]=1.[C:13](O)(=O)[C:14]1[CH:22]=CC=[C:16](C(O)=O)[CH:15]=1.C(O)(=O)C1C=CC(C(O)=O)=CC=1>IS(C)(=O)=O>[CH2:5]=[CH:6][CH:7]=[CH2:8].[CH2:16]=[CH:15][C:14](=[CH2:13])[CH3:22].[CH2:5]=[CH:6][C:7]1[CH:12]=[CH:11][CH:10]=[CH:9][CH:8]=1 | 2 |
BrCCCCCCCCN1C(C2=CC(=C(C=C2C=C1)C1=CN=C(N1COCC[Si](C)(C)C)[C@H](CCCCCC(CC)=O)NC(=O)[C@H]1CC12CCN(CC2)C(=O)OC(C)(C)C)OC)=O>CO[H].ClCCl.Cl>BrCCCCCCCCN1C(C2=CC(=C(C=C2C=C1)C1=CN=C(N1COCC[Si](C)(C)C)[C@H](CCCCCC(CC)=O)NC(=O)[C@H]1CC12CCNCC2)OC)=O | 3 |
Cl[C:2]1[N:3]=[CH:4][C:5](/[CH:8]=[CH:9]/[C:10]([O:12][CH3:13])=[O:11])=[N:6][CH:7]=1.[CH2:14]([N:21]([CH3:26])[CH2:22][C@H:23]([NH2:25])[CH3:24])[C:15]1[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1.CCN(CC)CC.C(=O)([O-])O.[Na+]>CC(N(C)C)=O>[CH2:14]([N:21]([CH3:26])[CH2:22][C@H:23]([NH:25][C:2]1[N:3]=[CH:4][C:5](/[CH:8]=[CH:9... | 2 |
CN1N=CC(=C1)B1OC(C(O1)(C)C)(C)C.BrC1=C(C(=C2N=CC=NC2=C1)C(=O)NCC(=O)OCC)O>>OC=1C(=C2N=CC=NC2=CC1C=1C=NN(C1)C)C(=O)NCC(=O)O | 5 |
[S:1]([Cl:5])(Cl)(=[O:3])=[O:2].[O:6]1[C:10]2[CH:11]=[CH:12][CH:13]=[CH:14][C:9]=2[CH2:8][CH2:7]1>CN(C)C=O>[O:6]1[C:10]2[CH:11]=[CH:12][C:13]([S:1]([Cl:5])(=[O:3])=[O:2])=[CH:14][C:9]=2[CH2:8][CH2:7]1 | 1 |
C(CC)(=O)Cl.FC1=C(C=CC2=CC=CC=C12)F>>FC1=CC=C2C=CC=C(C2=C1F)C(CC)=O | 5 |
[H-].[Na+].[OH:3][CH:4]([C:8]1[CH:9]=[N:10][CH:11]=[CH:12][CH:13]=1)[C:5]([NH2:7])=[O:6].[O:14]1[C:18]2[CH:19]=[CH:20][CH:21]=[CH:22][C:17]=2[CH:16]=[C:15]1[C:23]1[N:27]2[N:28]=[C:29](Cl)[CH:30]=[CH:31][C:26]2=[N:25][CH:24]=1>CCCCCC.CN(C=O)C>[O:14]1[C:18]2[CH:19]=[CH:20][CH:21]=[CH:22][C:17]=2[CH:16]=[C:15]1[C:23]1[N:2... | 2 |
C(C1=CC=CC=C1)Cl.CC1=NOC(=C1C=1C=C(C2=C(NC=N2)C1)N)C>CC#N.ClCCl.C([O-])([O-])=O.[K+].[K+]>C(C1=CC=CC=C1)N1C=NC2=C1C=C(C=C2N)C=2C(=NOC2C)C | 3 |
COCOCC1=NOC(=C1)C1=CC=C(C=C1)C(F)(F)F>N(C)(C)C=O.C1CCCO1.C(CCC)[Li]>COCOCC1=NOC(=C1C=O)C1=CC=C(C=C1)C(F)(F)F | 3 |
[C:1](N1C=CC=CC1=O)(N1C=CC=CC1=O)=[S:2].[Cl:17][C:18]1[CH:19]=[C:20]2[C:25](=[CH:26][C:27]=1[O:28][CH3:29])[CH:24]=[N:23][C:22]([NH2:30])=[CH:21]2>ClCCl.C(OCC)(=O)C.CCCCCC>[Cl:17][C:18]1[CH:19]=[C:20]2[C:25](=[CH:26][C:27]=1[O:28][CH3:29])[CH:24]=[N:23][C:22]([N:30]=[C:1]=[S:2])=[CH:21]2 | 1 |
COC1=CC=C(C=C1)CCCCCOC1=CC=CC=C1>ClCCl.B(Br)(Br)Br>BrCCCCCC1=CC=C(C=C1)O | 3 |
NN1C(=C(C=C1)C1=CC=CC=C1)C(=O)OC.S(N)(=O)(=O)C=1C=NC=C(C(=O)O)C1>N(C)(C)C=O.C1(=CC=NC=C1)N(C)C.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>C1(=CC=CC=C1)C1=C(N(C=C1)NC(C1=CN=CC(=C1)S(N)(=O)=O)=O)C(=O)OC | 3 |
[NH2:1][CH:2]([CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][C:14]([C:18]1[CH:23]=[CH:22][C:21]([NH2:24])=[CH:20][CH:19]=1)([CH3:17])[CH2:15][CH3:16])[CH:3]([CH3:5])[CH3:4].[NH2:25][CH:26]([CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][C:39]([C:42]1[CH:47]=[CH:46][C:45]([NH2:48])... | 1 |
ClC=1C(C2=CC=CC=C2C(C1Cl)=O)=O.[N+](=O)([O-])C1=CC=C2C=CNC2=C1>CCO[H].[Pd]>N1C=CC2=CC=C(C=C12)NC=1C(C2=CC=CC=C2C(C1Cl)=O)=O | 3 |
[Br:1][C:2]1[CH:3]=[CH:4][C:5]([OH:11])=[C:6]([C:8](=O)[CH3:9])[CH:7]=1.C(=O)([O-])[O-].[K+].[K+].Br[CH2:19][C:20]([CH:22]1[CH2:27][CH2:26][CH2:25][CH2:24][CH2:23]1)=[O:21]>CN(C)C=O>[Br:1][C:2]1[CH:3]=[CH:4][C:5]2[O:11][C:19]([C:20]([CH:22]3[CH2:27][CH2:26][CH2:25][CH2:24][CH2:23]3)=[O:21])=[C:8]([CH3:9])[C:6]=2[CH:7]=... | 1 |
[H-].[Na+].[Br:3][C:4]1[NH:8][N:7]=[C:6]([N+:9]([O-:11])=[O:10])[N:5]=1.[CH3:12]I.O>CN(C)C=O>[Br:3][C:4]1[N:8]([CH3:12])[N:7]=[C:6]([N+:9]([O-:11])=[O:10])[N:5]=1 | 1 |
C(C#C)O.BrC=1C=CC2=C(C1)C=1N=C(NC(C1O2)=O)CN2C[C@H](CC2)O>O.C(C)(C)(C)O.C(=O)([O-])[O-].[Cs+].[Cs+].[Pd](Cl)Cl.C(C)(C)(C)P([C-]1C=CC=C1)C(C)(C)C.[C-]1(C=CC=C1)P(C(C)(C)C)C(C)(C)C.[Fe+2]>OCC#CC=1C=CC2=C(C1)C=1N=C(NC(C1O2)=O)CN2C[C@H](CC2)O | 3 |
C(C)(C)(C)OC(NC(C(C#C)=O)(C)C1=CC(=CC=C1)Br)=O>CCO[H].O.NN>C(C)(C)(C)OC(NC(C)(C1=NNC=C1)C1=CC(=CC=C1)Br)=O | 3 |
C(CC)(=O)NC=1C(=CSC1)C(=O)OC>>C(CC)NC=1C(=CSC1)C(=O)OC | 5 |
C1=CC=CC2=CC3=CC=CC=C3C(=C12)B(O)O.ClC1=C(C(C#N)=CC=C1)C#N>[F-].[Cs+].[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=CC2=CC3=CC=CC=C3C(=C12)C1=C(C(C#N)=CC=C1)C#N | 3 |
C(C)(=O)N=C=S.NC=1C(=NC(=CN1)C1=CC=C(C=C1)S(=O)(=O)C(C)C)C(=O)NN>>NC=1C(=NC(=CN1)C1=CC=C(C=C1)S(=O)(=O)C(C)C)C(=O)NNC(=S)NC(C)=O | 5 |
[Cl:1][C:2]1[CH:3]=[C:4]([CH:8]=[CH:9][C:10]=1[Cl:11])[C:5](Cl)=[O:6].[CH2:12]([O:14][C:15]([C@:17]1([F:37])[C@@H:22]2[C@H:18]1[CH2:19][C@@H:20]([OH:36])[C@@:21]2([N:33]=[N+:34]=[N-:35])[C:23]([O:25][CH2:26][C:27]1[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=1)=[O:24])=[O:16])[CH3:13].C(OCC)(=O)C>N1C=CC=CC=1>[CH2:12]([O:14][C... | 1 |
CS(=O)C1=CC=C(C=C1)B(O)O.ClC1=CC=C(C=N1)CN(C1CCN(CC1)C(=O)OC(C)(C)C)C1CC1>O.C([O-])([O-])=O.[K+].[K+].O1CCOCC1.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>C1(CC1)N(C1CCN(CC1)C(=O)OC(C)(C)C)CC=1C=NC(=CC1)C1=CC=C(C=C1)S(=O)C | 3 |
ClC=1C=C(C=CC1OC)NC1=C(C(=O)OC)C=CC=N1>O.C1CCCO1.[OH-].[Li+]>ClC=1C=C(C=CC1OC)NC1=C(C(=O)O)C=CC=N1 | 3 |
FC1=C(C=CC=C1)C=1C(NC2=CC=NC(=C2C1)C=1C=NN(C1)COCC[Si](C)(C)C)=O>>ClC1=NC2=CC=NC(=C2C=C1C1=C(C=CC=C1)F)C=1C=NN(C1)COCC[Si](C)(C)C | 5 |
CC1=NC(=NC(=C1)C)C=1C(=NC(=CC1)C)C#N>O.CCO[H].[OH-].[Na+]>CC1=NC(=NC(=C1)C)C=1C(=NC(=CC1)C)C(=O)O | 3 |
ClC1=CC=C(C=C1)C=1C(=NC(=NC1)NCCNC(C)C)C1=C(C=CC=C1)Cl>CC#N.C(=O)(C=1NC=CN1)C=1NC=CN1.C(=O)([O-])[O-].[Cs+].[Cs+]>ClC1=CC=C(C=C1)C=1C(=NC(=NC1)N1C(N(CC1)C(C)C)=O)C1=C(C=CC=C1)Cl | 3 |
BrCC(=O)OCC.CC=1NC2=CC=C(C=C2C1OC1=CC=C(C=C1)S(=O)(=O)C)C>>CC=1N(C2=CC=C(C=C2C1OC1=CC=C(C=C1)S(=O)(=O)C)C)CC(=O)O | 5 |
ClC1=NC=C2N(C(N(C2=N1)C12CC3(CC(CC(C1)C3)C2)O)=O)C.CC1=CC=2N(C=C1N)N=CN2>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+].C=1C=CC(=CC1)P(C=2C=CC=CC2)C3=CC=C4C=CC=CC4=C3C5=C6C=CC=CC6=CC=C5P(C=7C=CC=CC7)C=8C=CC=CC8>O... | 3 |
C(C1=CC=CC=C1)OC1=C(C(=O)O)C(=C(C(=N1)C=1C=C2C(=CN(C2=CC1)C)C#N)CC)OCC1=CC=CC=C1>[HH].C(C)(=O)OCC.[Pd]>C(#N)C1=CN(C2=CC=C(C=C12)C1=C(C(=C(C(N1)=O)C(=O)O)O)CC)C | 3 |
FC=1C=C(C=C(C1F)F)NC(OC1=CC=CC=C1)=O.C[C@@H]1NCC=2N(C1)N=CC2N2C(OC(C2)C2=CC=CC=C2)=O>>C[C@@H]1N(CC=2N(C1)N=CC2N2C(OC(C2)C2=CC=CC=C2)=O)C(=O)NC2=CC(=C(C(=C2)F)F)F | 5 |
C[C@H]1COC[C@H](N1C=1C=C2C(=CC=NC2=CC1)C(=O)OC(C)(C)C)C>C(=O)(C(F)(F)F)O>C[C@H]1COC[C@H](N1C=1C=C2C(=CC=NC2=CC1)C(=O)O)C | 3 |
C(=O)([O-])O.[Na+].Br[CH2:7][C:8]([NH:10][C:11]1[C:12]([S:22][CH:23]([CH3:25])[CH3:24])=[N:13][C:14]([CH3:21])=[CH:15][C:16]=1[S:17][CH:18]([CH3:20])[CH3:19])=[O:9].[SH:26][C:27]1[O:28][C:29]2[CH:35]=[CH:34][CH:33]=[CH:32][C:30]=2[N:31]=1>C(#N)C>[O:28]1[C:29]2[CH:35]=[CH:34][CH:33]=[CH:32][C:30]=2[N:31]=[C:27]1[S:26][C... | 1 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]([CH:19]=[C:20]([O:24][CH3:25])[C:21]=1[O:22][CH3:23])[CH2:6][C:7]1[C:16]2[C:11](=[CH:12][C:13]([O:17][CH3:18])=[CH:14][CH:15]=2)[CH:10]=[N:9][CH:8]=1.[N+:26]([O-:29])([OH:28])=[O:27]>C(OC(=O)C)(=O)C>[N+:26]([O-:29])([OH:28])=[O:27].[CH3:18][O:17][C:13]1[CH:12]=[C:11]2[C:16]([C:7]([C:6]([C... | 2 |
[CH3:1][N:2]([CH3:21])[C:3](=[O:20])[C:4]1[CH:9]=[CH:8][C:7]([N:10]2[CH:19]=[C:18]3[C:12]([CH2:13][CH2:14][NH:15][CH2:16][CH2:17]3)=[N:11]2)=[CH:6][CH:5]=1.[CH3:22][CH:23]([CH3:26])[CH:24]=O.C(O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+]>ClCCl.C(O)(=O)C.CO>[CH3:1][N:2]([CH3:21])[C:3](=[O:20])[C:4]1[CH:9]=[CH:8][C:7]([N:10]2[CH:1... | 1 |
[Cl:1][C:2]1[C:7]2[C:8](=[O:22])[N:9]([CH3:21])[CH2:10][C:11]3[N:12]([CH:13]=[N:14][C:15]=3[C:16]([O:18][CH2:19][CH3:20])=[O:17])[C:6]=2[CH:5]=[CH:4][CH:3]=1.[C-]#N.[K+].[CH:26]1(O)[CH2:30]CC[CH2:27]1>>[Cl:1][C:2]1[C:7]2[C:8](=[O:22])[N:9]([CH3:21])[CH2:10][C:11]3[N:12]([CH:13]=[N:14][C:15]=3[C:16]([O:18][CH:19]3[CH2:3... | 1 |
Br[CH2:2][C:3]([C:5]1[CH:10]=[CH:9][CH:8]=[CH:7][C:6]=1[N+:11]([O-:13])=[O:12])=O.[N:14]1[CH:19]=[CH:18][CH:17]=[CH:16][C:15]=1[CH2:20][C:21]([O-:23])=[O:22].[C:24]([O-])(O)=O.[Na+]>CC(C)=O>[CH3:24][O:22][C:21]([C:20]1[C:3]([C:5]2[CH:10]=[CH:9][CH:8]=[CH:7][C:6]=2[N+:11]([O-:13])=[O:12])=[CH:2][N:14]2[C:15]=1[CH:16]=[C... | 1 |
BrC1=CC=C(C=C1)NC=1OC2=C(N1)C=C(C=C2OC)Cl>N1=C(C=C(C=C1C)C)C.[I-].[Li+]>BrC1=CC=C(C=C1)NC=1OC2=C(N1)C=C(C=C2O)Cl | 3 |
I[C:2]1[CH:7]=[CH:6][C:5]([C:8]2[CH:15]=[CH:14][C:11]([C:12]#[N:13])=[CH:10][CH:9]=2)=[CH:4][CH:3]=1.C[S-:17].[Na+]>CN(C)P(N(C)C)(N(C)C)=O>[SH:17][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[CH:15]=[CH:14][C:11]([C:12]#[N:13])=[CH:10][CH:9]=2)=[CH:4][CH:3]=1 | 1 |
ClC1=C(C=CC2=CC=C(C=C12)OC)O>Cl>ClC1=C2C(=CC=3C4=C(COC13)C=C(C=C4)O)C=CC(=C2)O | 3 |
[N+](=O)([O-])C1=CC=C(C=C1)NCCCOC1=CC=C(C(=O)OC)C=C1>CO[H].[Pd]>NC1=CC=C(C=C1)NCCCOC1=CC=C(C(=O)OC)C=C1 | 3 |
[C:1]([C:3]1[CH:8]=[CH:7][C:6]([C:9]2[S:13][C:12]([CH2:14][C:15]3[CH:16]=[C:17]([CH:21]=[CH:22][CH:23]=3)[C:18](O)=[O:19])=[N:11][N:10]=2)=[CH:5][CH:4]=1)#[N:2].C(N(CC)C(C)C)(C)C.Br.Br.[N:35]1([C@H:41]2[CH2:50][CH2:49][C:44]3[N:45]=[C:46]([NH2:48])[S:47][C:43]=3[CH2:42]2)[CH2:40][CH2:39][O:38][CH2:37][CH2:36]1.C(=O)(O)... | 1 |
[Cl:1][C:2]1[CH:3]=[CH:4][C:5]2[N:11]3[C:12]([CH2:15][C:16]([F:19])([F:18])[F:17])=[N:13][N:14]=[C:10]3[C@@H:9]([CH2:20][C:21]3[S:22][C:23]([CH2:26][CH2:27][C:28]([O:30]C)=[O:29])=[CH:24][N:25]=3)[S:8][C@H:7]([C:32]3[CH:37]=[CH:36][CH:35]=[C:34]([O:38][CH3:39])[C:33]=3[O:40][CH3:41])[C:6]=2[CH:42]=1.Cl.C(Cl)(Cl)Cl>O1CC... | 2 |
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