smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
CC(C(C1C=CC=CC=1)=O)=CC1C=CC=CC=1.O.NN.[C:21]1([C:27]2[NH:28][NH:29][CH:30]([C:34]3[CH:39]=[CH:38][CH:37]=[CH:36][CH:35]=3)[C:31]=2[O:32][CH3:33])[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=1.N1CC=CN1>[Pd]>[C:21]1([C:27]2[C:31]([O:32][CH3:33])=[C:30]([C:34]3[CH:35]=[CH:36][CH:37]=[CH:38][CH:39]=3)[NH:29][N:28]=2)[CH:26]=[CH:... | 1 |
ClC=1C=C(C=CC1)[C@H](CNCCC1=CC=C(C=C1)S(=O)(=O)C=1C=C(OCC(=O)OC)C=CC1)O>CO[H].N>Cl.ClC=1C=C(C=CC1)[C@H](CNCCC1=CC=C(C=C1)S(=O)(=O)C=1C=C(OCC(=O)N)C=CC1)O | 3 |
COC=1C=C(C=CC1)C(CCOC=O)=O>>COC=1C=C(C=CC1)C=1N=COC1 | 5 |
N[C@@H](C(=O)O)CC1=CC=C(C=C1)Br>O.S(O)(O)(=O)=O.N(=O)[O-].[Na+]>BrC1=CC=C(C=C1)C[C@H](C(=O)O)O | 3 |
C(C)OC1=CC=C(C=C1)N1C2=NC(=NC=C2N=C1)NC=1C=NN(C1)CCCC1CCN(CC1)C(=O)OC(C)(C)C>>Cl.C(C)OC1=CC=C(C=C1)N1C2=NC(=NC=C2N=C1)NC=1C=NN(C1)CCCC1CCNCC1 | 5 |
N#CBr.C[C@H]1O[C@H](CC(C1)NC(C(C=1C=NC=CC1)N(C(=O)[C@@H]1NC[C@@H](C1)OC)C1=CC=C(C=C1)S(F)(F)(F)(F)F)=O)C>N(C)(C)C=O.O.C(O)([O-])=O.[Na+]>C(#N)N1[C@H](C[C@H](C1)OC)C(=O)N(C1=CC=C(C=C1)S(F)(F)(F)(F)F)C(C(=O)NC1C[C@H](O[C@H](C1)C)C)C=1C=NC=CC1 | 3 |
[CH2:1]([NH:4][C:5]([NH2:7])=[O:6])[CH2:2][CH3:3].Cl[CH:9]([C:15]([C:17]([F:20])([F:19])[F:18])=O)[C:10]([O:12][CH2:13][CH3:14])=[O:11]>>[CH2:1]([NH:4][C:5]1[O:6][C:9]([C:10]([O:12][CH2:13][CH3:14])=[O:11])=[C:15]([C:17]([F:18])([F:20])[F:19])[N:7]=1)[CH2:2][CH3:3] | 1 |
[Cl:1][C:2]1[C:31]([Cl:32])=[CH:30][C:5]2[N:6]([CH2:19][C:20]3[CH:29]=[CH:28][C:23]([C:24]([O:26][CH3:27])=[O:25])=[CH:22][CH:21]=3)[C:7](=[N:10][C:11]3[CH:16]=[CH:15][C:14]([O:17]C)=[CH:13][CH:12]=3)[N:8]([CH3:9])[C:4]=2[CH:3]=1.B(Br)(Br)Br>C(Cl)Cl>[Cl:1][C:2]1[C:31]([Cl:32])=[CH:30][C:5]2[N:6]([CH2:19][C:20]3[CH:29]=... | 1 |
Cl.ClC1=CC(=NC=C1)C>O.[OH-].[Na+].[N-]=[N+]=[N-].[Na+]>N(=[N+]=[N-])C1=CC(=NC=C1)C | 3 |
[F:1][C:2]([F:20])([C:16]([F:19])([F:18])[F:17])[C:3]([F:15])([F:14])[C:4]([F:13])([F:12])[C:5]1[CH:10]=[CH:9][C:8]([Br:11])=[CH:7][CH:6]=1.[C:21]1([S:27]([C:29]2[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=2)=O)[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=1.C[Si](Cl)(C)C.Br>O1CCCC1>[Br-:11].[F:1][C:2]([F:20])([C:16]([F:19])([F:18])... | 2 |
C[S-].[Na+].C(C)(C)(C)OC(=O)N1C[C@@H](OC[C@@H]1CC1=CC=C(C=C1)Br)COS(=O)(=O)C>CC#N.O>C(C)(C)(C)OC(=O)N1C[C@@H](OC[C@@H]1CC1=CC=C(C=C1)Br)CSC | 3 |
C(OC(=O)CN1C(=O)/C(=C/C2OC(C3C=CC=C([Sn](CCCC)(CCCC)CCCC)C=3)=CC=2)/NC1=S)C.[CH:39]([C:41]1[O:45][C:44](B(O)O)=[CH:43][CH:42]=1)=[O:40].[Br:49][C:50]1[CH:51]=[C:52](I)[CH:53]=[CH:54][CH:55]=1.C(=O)([O-])[O-].[Na+].[Na+]>COCCOC.C1C=CC([P]([Pd]([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC... | 1 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.C1NCCC=2C(=CC=CC12)O>ClCCl.[OH-].[Na+].O1CCOCC1>OC1=C2CCN(CC2=CC=C1)C(=O)OC(C)(C)C | 3 |
COC(=O)C1=CN(C(C2=CC(=CC=C12)OC)=O)CC>>C(C)N1C(C2=CC(=CC=C2C(=C1)C(=O)O)OC)=O | 5 |
[C:1]([OH:10])([C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][CH:5]=1)([CH3:3])[CH3:2].C1(C(C)C)C=CC=CC=1>>[CH3:3][C:1]([C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][CH:5]=1)=[CH2:2].[C:1]([OH:10])([C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][CH:5]=1)([CH3:3])[CH3:2] | 2 |
IC1=CC=CC=C1.C(#C)C1=CC=C(C=C1)F>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>FC1=CC=C(C=C1)C#CC1=CC=CC=C1 | 3 |
[C:1]([NH:9][C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][C:11]=1/[CH:16]=[CH:17]/[C:18]([O:20]C)=O)(=[O:8])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[OH-:22].[Na+].[NH2:24]O.Cl>C1COCC1.CO>[OH:22][NH:24][C:18](=[O:20])/[CH:17]=[CH:16]/[C:11]1[CH:12]=[CH:13][CH:14]=[CH:15][C:10]=1[NH:9][C:1](=[O:8])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:... | 2 |
ClCC1OC1.S1C(=NC2=C1C=CC=C2)CC#N>C1CCCO1.ClCCl.[Cl-].[NH4+].[NH2-].[Na+]>OCC1(CC1)C#N | 3 |
C(#N)C1=CC(=C(C=C1)NC(CC1=CC=CC=C1)=O)[N+](=O)[O-]>>NC1=C(C=CC(=C1)C#N)NC(CC1=CC=CC=C1)=O | 5 |
NC1=CC=C(N=N1)CCCCN1N=NC(=C1)C(=O)NC.FC(C(=O)O)(F)F.O1CCC(CC1)C1=CC(=NC=C1)CC(=O)O>N(C)(C)C=O.CCCP1(=O)OP(=O)(OP(=O)(O1)CCC)CCC>CNC(=O)C=1N=NN(C1)CCCCC=1N=NC(=CC1)NC(CC1=NC=CC(=C1)C1CCOCC1)=O | 3 |
C(C1=CC=CC=C1)C1=CC(=NO1)C(=O)OCC>>C(C1=CC=CC=C1)OCC1=CC(=NO1)C(=O)O | 5 |
C(C)(=O)OC(C)=O.Cl.Cl.Cl.C1(=CC=CC=C1)C1=NC2=CC(=CC=C2C=C1)C=1N=C(N2C1C(=NC=C2)N)C2CCNCC2>>NC=1C=2N(C=CN1)C(=NC2C2=CC=C1C=CC(=NC1=C2)C2=CC=CC=C2)C2CCN(CC2)C(C)=O | 5 |
[CH3:1][C:2]1[CH:7]=[CH:6][CH:5]=[C:4]([CH3:8])[C:3]=1[N+:9]([O-])=O.[CH3:12][C:13]1[CH:19]=[CH:18][CH:17]=[C:16]([CH3:20])[C:14]=1N>[Ni]>[CH3:12][C:6]1[CH:7]=[C:2]([CH3:1])[C:3]([NH2:9])=[C:4]([CH3:8])[CH:5]=1.[C:18]1([CH3:1])[CH:19]=[C:13]([CH3:12])[CH:14]=[C:16]([CH3:20])[CH:17]=1 | 1 |
C(C)OC1=CC(=C(CN2C(=NC3=C2C=C(C=C3C)OCCCC(=O)OCC)C)C=C1)C=C>>C(C)OC1=CC(=C(CN2C(=NC3=C2C=C(C=C3C)OCCCC(=O)OCC)C)C=C1)CC | 5 |
COC1=C(CCl)C=CC=C1.ClC1=C(C=CC=C1Cl)C1=NN=NN1>>ClC1=C(C=CC=C1Cl)C1=NN=NN1CC1=C(C=CC=C1)OC | 5 |
C1(=CC=C(C=C1)C[C@H](C(=O)O)N(C)C(=O)OC(C)(C)C)C1=CC=CC=C1.CNC(C(CC1=CC=CC=C1)NC)=O>ClCCl.C(C)(C)N(C(C)C)CC.Cl.CN(CCCN=C=NCC)C.ON1N=NC2=C1N=CC=C2>C(C)(C)(C)OC(N(C)[C@H](CC1=CC=C(C=C1)C1=CC=CC=C1)C(N([C@H](CC1=CC=CC=C1)C(NC)=O)C)=O)=O | 3 |
C1(CCC(=O)O1)=O.C(C)(C)(C)OC(=O)N1CCC(CC1)CN>>C(C)(C)(C)OC(=O)N1CCC(CC1)CN1C(CCC1=O)=O | 5 |
[CH3:1][S:2](Cl)(=[O:4])=[O:3].[NH:6]1[CH2:9][CH:8]([NH:10][C:11](=[O:32])[C:12]2[CH:17]=[CH:16][C:15]([N:18]([CH3:29])[C:19]3[N:24]=[CH:23][C:22]4[N:25]=[CH:26][N:27]([CH3:28])[C:21]=4[CH:20]=3)=[C:14]([CH2:30][CH3:31])[CH:13]=2)[CH2:7]1.C(N(CC)CC)C>C(Cl)Cl>[CH2:30]([C:14]1[CH:13]=[C:12]([CH:17]=[CH:16][C:15]=1[N:18](... | 2 |
C(C)(C)(C)OC(=O)NCC=1C(=NC(=C(C(=O)OCC=2OC(OC2C)=O)C1C1=CC=C(C=C1)C)C)CC(C)(C)C>>Cl.Cl.NCC=1C(=NC(=C(C(=O)OCC=2OC(OC2C)=O)C1C1=CC=C(C=C1)C)C)CC(C)(C)C | 5 |
NC1=CC=C(C(=C1)O)C.ClC1=C(C=NC2=CC(=C(C=C12)OC)OCC)C#N>CCO[H]>C(C)OC1=C(C=C2C(=C(C=NC2=C1)C#N)NC1=CC(=C(C=C1)C)O)OC | 3 |
[Br-].ClC1=C(C[Zn+])C(=CC=C1)Cl.ClC1=CC2=C(C(NN=C2)=O)C(=N1)NC1=CC(=C(C=C1F)N1CCN(CC1)C(=O)OC(C)(C)C)C>C1CCCO1.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>ClC1=C(CC2=CC3=C(C(NN=C3)=O)C(=N2)NC2=CC(=C(C=C2F)N2CCN(CC2)C(=O)OC(C)(C)C... | 3 |
CO[C:3]([C:5]1[C:6]([OH:35])=[C:7]2[C:12](=[CH:13][N:14]=1)[N:11](CC1C=CC=CC=1)[C:10](=[O:22])[C:9]([C:23]1[CH:28]=[CH:27][C:26]([N:29]3[CH2:34][CH2:33][O:32][CH2:31][CH2:30]3)=[CH:25][CH:24]=1)=[CH:8]2)=[O:4].[NH2:36][CH2:37][CH2:38][C:39]([OH:41])=[O:40].C[O-].[Na+]>>[CH2:9]([N:14]1[CH:13]=[C:12]2[C:7](=[CH:8][CH:9](... | 1 |
C1(CC1)C=1C=NC=C(C#N)C1>CCO[H].CC[O-].[Na+]>C1(CC1)C=1C=NC=C(C(OCC)=N)C1 | 3 |
Cl.C(C)(C)(C)OC(CCN)=O.C1(CCCCC1)N(C1=CC(=NC=N1)C(=O)NC1=C(C=C(C=C1)S(=O)(=O)Cl)C)CC1CC1>C1CCCO1.CCN(CC)CC>C1(CCCCC1)N(C1=CC(=NC=N1)C(=O)NC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)OC(C)(C)C)C)CC1CC1 | 3 |
C(C)(C)(C)OC(C(CNC(=O)C1(CCCC1)CC(=O)O)CC1=CC(=C(C=C1)Cl)Cl)=O>>C(=O)(O)CC1(CCCC1)C(=O)NCC(C(=O)O)CC1=CC(=C(C=C1)Cl)Cl | 5 |
[Br:1][C:2]1[CH:7]=[CH:6][C:5]([OH:8])=[CH:4][CH:3]=1.Br[CH2:10][CH2:11][CH2:12][Cl:13]>>[Br:1][C:2]1[CH:7]=[CH:6][C:5]([O:8][CH2:10][CH2:11][CH2:12][Cl:13])=[CH:4][CH:3]=1 | 1 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.COC([C@@H]1NC(CC1)=O)=O>>COC([C@@H]1N(C(CC1)=O)C(=O)OC(C)(C)C)=O | 5 |
[O:1]1[C:5]2[CH:6]=[CH:7][C:8]([C:10]3[S:18][C:17]4[C:16](=[O:19])[N:15]([CH:20]5[CH2:25][CH2:24][N:23](C(OC(C)(C)C)=O)[CH2:22][CH2:21]5)[C:14](=[O:33])[N:13]([CH2:34][C:35]5[CH:40]=[CH:39][C:38]([O:41][CH3:42])=[C:37]([F:43])[CH:36]=5)[C:12]=4[CH:11]=3)=[CH:9][C:4]=2[O:3][CH2:2]1.[ClH:44]>C(Cl)Cl.O1CCOCC1>[ClH:44].[O:... | 2 |
[NH2:1][C:2]1[C:11]2[C:6](=[CH:7][C:8]([CH2:12][N:13]3[CH2:18][CH2:17][NH:16][CH:15]([CH2:19][CH2:20][CH3:21])[C:14]3=[O:22])=[CH:9][CH:10]=2)[N:5]=[CH:4][N:3]=1.C([O:27][C:28](=O)[CH2:29][C:30]([C:32]1[S:33][C:34]([Cl:37])=[CH:35][CH:36]=1)=[O:31])(C)(C)C>N1C=CC=CC=1>[NH2:1][C:2]1[C:11]2[C:6](=[CH:7][C:8]([CH2:12][N:1... | 1 |
[CH3:1][C:2]1[CH:3]=[C:4]([CH:7]=[CH:8][CH:9]=1)[CH2:5][OH:6].[N+](=[CH:12][C:13]([O:15][CH2:16][CH3:17])=[O:14])=[N-]>ClCCl.CCCCCCC.CC(O)=O.CC(O)=O.CC(O)=O.CC(O)=O.[Rh].[Rh]>[CH2:16]([O:15][C:13](=[O:14])[CH2:12][O:6][CH2:5][C:4]1[CH:7]=[CH:8][CH:9]=[C:2]([CH3:1])[CH:3]=1)[CH3:17] | 1 |
[CH3:1][N:2]([CH3:31])[C:3](=[O:30])[CH2:4][N:5]1[C:14]2[C:9](=[N:10][CH:11]=[C:12]([CH2:15][C:16]3[CH:21]=[CH:20][C:19]([F:22])=[CH:18][CH:17]=3)[CH:13]=2)[C:8]([OH:23])=[C:7]([C:24](OCC)=[O:25])[C:6]1=[O:29].C(O)(=O)C(O)=O.[NH2:38][CH2:39][P:40](=[O:47])([O:44][CH2:45][CH3:46])[O:41][CH2:42][CH3:43]>>[CH3:31][N:2]([C... | 2 |
BrC1=CN=C2N1N=CC(=C2)C#N.C(C)(C)NC1=CC(=NC=C1C(=O)OC(C)(C)C)[Sn](C)(C)C>O1CCOCC1.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>C(#N)C1=CC=2N(N=C1)C(=CN2)C2=NC=C(C(=O)OC(C)(C)C)C(=C2)NC(C)C | 3 |
[C:1]1([C:7]2[CH:24]=[CH:23][C:10]([CH2:11][O:12][C:13]([CH3:22])([C:18]([F:21])([F:20])[F:19])[C:14]([O:16]C)=[O:15])=[CH:9][CH:8]=2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[OH-].[K+].CO>O>[C:1]1([C:7]2[CH:24]=[CH:23][C:10]([CH2:11][O:12][C:13]([CH3:22])([C:18]([F:19])([F:20])[F:21])[C:14]([OH:16])=[O:15])=[CH:9][CH:8]=2)[... | 1 |
CS(O[CH2:6][CH2:7][S:8]([CH3:11])(=[O:10])=[O:9])(=O)=O.[NH2:12][CH2:13][CH2:14][O:15][C:16]1[CH:21]=[CH:20][C:19]([NH:22][C:23](=[O:32])[C:24]2[CH:29]=[CH:28][CH:27]=[C:26]([O:30][CH3:31])[CH:25]=2)=[CH:18][C:17]=1[C:33]1[N:37]([CH3:38])[N:36]=[CH:35][CH:34]=1>CN(C=O)C>[CH3:11][S:8]([CH2:7][CH2:6][NH:12][CH2:13][CH2:1... | 1 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.Cl.OC(COC1=CC=C(C=C1)CC(=O)O)CNC(C)C>O.O.O1CCOCC1.O1CCOCC1.S(=O)(=O)(O)[O-].[K+].C(O)([O-])=O.[Na+].C(Cl)(Cl)Cl.CO.CC(=O)O>C(=O)(OC(C)(C)C)N(CC(COC1=CC=C(C=C1)CC(=O)O)O)C(C)C | 3 |
[CH3:1][N:2]1[CH:6]=[CH:5][N:4]=[C:3]1[CH2:7][O:8][C:9]1[CH:10]=[C:11]([O:27][C:28]2[CH:33]=[CH:32][C:31]([S:34]([CH3:37])(=[O:36])=[O:35])=[CH:30][CH:29]=2)[CH:12]=[C:13]2[C:17]=1[NH:16][C:15]([C:18]1[S:19][CH:20]([CH2:23][C:24]([OH:26])=O)[CH2:21][N:22]=1)=[CH:14]2.Cl.C[N:40](C)CCCN=C=NCC.[NH4+].ON1C2C=CC=CC=2N=N1.CN... | 1 |
[O:1]=[C:2]1[NH:7][CH:6]=[CH:5][N:4]([S:8]([C:11]2[CH:17]=[CH:16][C:14]([CH3:15])=[CH:13][CH:12]=2)(=[O:10])=[O:9])[C@@H:3]1[CH2:18][C:19]([OH:21])=O.[NH2:22][C@@H:23]1[CH2:32][CH2:31][CH2:30][C:29]2[CH:28]=[C:27]([CH2:33]O)[CH:26]=[CH:25][C:24]1=2.C1C=C[C:38]2N(O)N=[N:41][C:39]=2[CH:40]=1.CCN=C=NCCCN(C)C>CN(C=O)C.CCOC... | 1 |
C(C1=CC=CC=C1)(=O)NC1=CC(=NC=N1)O[C@@H]1C[C@@H]([C@H](C1)OP(O)=O)COC(C1=CC=CC=C1)(C1=CC=C(C=C1)OC)C1=CC=C(C=C1)OC>O.C(C)(=O)O>P(O[C@@H]1[C@H](C[C@H](C1)OC1=NC=NC(=C1)NC(C1=CC=CC=C1)=O)CO)(O)=O | 3 |
Cl[C:2]1[N:7]=[CH:6][C:5]2[CH:8]=[C:9]([C:15]3[CH:16]=[N:17][N:18]([C:20]([O:22][C:23]([CH3:26])([CH3:25])[CH3:24])=[O:21])[CH:19]=3)[N:10]([S:11]([CH3:14])(=[O:13])=[O:12])[C:4]=2[CH:3]=1.C(=O)([O-])[O-].[Cs+].[Cs+].[NH2:33][C:34]1[CH:39]=[CH:38][C:37]([F:40])=[CH:36][N:35]=1.O>CC(O)(C)C.CCOC(C)=O.C1C=CC(/C=C/C(/C=C/C... | 1 |
COC1=CC=C(CCl)C=C1.N1C(=CC=C1)C=O>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>COC1=CC=C(CN2C(=CC=C2)C=O)C=C1 | 3 |
[F:1][C:2]([F:28])([O:6][C:7]1[CH:8]=[C:9]([NH:13][C:14]2[N:19]=[C:18]([C:20]3[CH:25]=[CH:24][N:23]=[C:22]([C:26]#[N:27])[CH:21]=3)[CH:17]=[CH:16][N:15]=2)[CH:10]=[CH:11][CH:12]=1)[CH:3]([F:5])[F:4].[H-].C([Al+]CC(C)C)C(C)C.C1COCC1>CO>[F:28][C:2]([F:1])([O:6][C:7]1[CH:8]=[C:9]([NH:13][C:14]2[N:19]=[C:18]([C:20]3[CH:25]... | 1 |
C(C1=CC=CC=C1)OCC(C#C[Si](C)(C)C)O>C1CCCO1.[F-].C(CCC)[N+](CCCC)(CCCC)CCCC.C(O)([O-])=O.[Na+]>C(C1=CC=CC=C1)OCC(C#C)O | 3 |
[Cl:1][C:2]1[CH:10]=[C:9]2[C:5]([C:6]([CH:11]=[O:12])=[CH:7][NH:8]2)=[CH:4][CH:3]=1.[H-].[Na+].[CH3:15][O:16][C:17]1[CH:22]=[CH:21][C:20]([S:23](Cl)(=[O:25])=[O:24])=[CH:19][C:18]=1[N:27]1[CH2:32][CH2:31][N:30]([C:33](=[O:38])[C:34]([Cl:37])([Cl:36])[Cl:35])[CH2:29][CH2:28]1>C1COCC1>[Cl:1][C:2]1[CH:10]=[C:9]2[C:5]([C:6... | 2 |
O1CCCC=C1.BrC1=CC(=C2C(=NNC2=C1)C)F>C1CCCO1.C1(=CC=C(C=C1)S(=O)(=O)O)C>BrC1=CC(=C2C(=NN(C2=C1)C1OCCCC1)C)F | 3 |
C(C(O)CC#N)#N.O=C(CC(=O)OCC)CC(=O)OCC>O.CCO[H].C(C)NCC>C1(NC(CC=2CC(NC(C12)=O)=O)=O)=O | 3 |
C(C)SC1=CC=C(C=C1)OC>O.C(Cl)(Cl)(Cl)[H].[Br-].C(C)[N+](CC)(CC)CC.OI1(OC(C2=C1C=CC=C2)=O)=O>C(C)S(=O)C1=CC=C(C=C1)OC | 3 |
[Cl:1][C:2]1[CH:22]=[CH:21][CH:20]=[C:19]([Cl:23])[C:3]=1[CH2:4][C:5]1[C:6](=[O:18])[O:7][C:8]2[C:13]([C:14]=1[CH3:15])=[CH:12][C:11]([Cl:16])=[C:10]([OH:17])[CH:9]=2.[I-].[N:25]1([C:35](N2C=C[N+](C)=C2)=[O:36])[C:34]2[C:29](=[CH:30][CH:31]=[CH:32][CH:33]=2)[CH2:28][CH2:27][CH2:26]1>>[Cl:1][C:2]1[CH:22]=[CH:21][CH:20]=... | 1 |
COC1=C(C=C(C=C1)OC)CC#N>C1CCCO1.C(C)OCC.[Na+].[BH4-].Cl.O1CCOCC1.B(F)(F)F>Cl.COC1=C(C=C(C=C1)OC)CCN | 3 |
[C:1]([OH:10])(=[O:9])[C@@H:2]([C@H:4]([C:6]([OH:8])=[O:7])[OH:5])[OH:3]>O>[C@H:2]([OH:3])([C:1]([OH:10])=[O:9])[C@H:4]([OH:5])[C:6]([OH:8])=[O:7].[C:1]([OH:10])(=[O:9])[CH:2]([CH:4]([C:6]([OH:8])=[O:7])[OH:5])[OH:3] | 1 |
S(Cl)(Cl)=O.C1(CCC(O)=O)C=CC=CC=1.C1(CCC(Cl)=O)C=CC=CC=1.[C:27]1([CH2:33][CH2:34][C:35]([N:37]=[C:38]=[S:39])=[O:36])[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=1.[CH3:40][O:41][C:42]1[CH:43]=[C:44]2[C:49](=[CH:50][C:51]=1[O:52][CH3:53])[N:48]=[CH:47][CH:46]=[C:45]2[O:54][C:55]1[CH:61]=[CH:60][C:58]([NH2:59])=[CH:57][C:56]=1... | 1 |
C(C1=CC=CC=C1)C1CC(N(CC1)C1CC2(C1)CCN(CC2)C(=O)OC(C)(C)C)C2=C(C=CC=C2)C(C)C>O.CO[H].Cl.C([O-])([O-])=O.[Na+].[Na+]>C(C1=CC=CC=C1)C1CC(N(CC1)C1CC2(C1)CCNCC2)C2=C(C=CC=C2)C(C)C | 3 |
[Br:1][CH:2]([CH3:12])[CH2:3][O:4][C:5]1[CH:10]=[CH:9][C:8](I)=[CH:7][CH:6]=1.[CH2:13]([OH:17])[CH2:14][C:15]#[CH:16].CCN(CC)CC>ClCCl.[Cu]I.Cl[Pd](Cl)([P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)[P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1>[Br:1][CH:2]([CH3:12])[CH2:3][O:4][C:5]1[CH:10]=[CH:9][C:8]([C:16]#[C:15][CH2:14][CH2:1... | 1 |
Cl.NCC(CCC(=O)OCCCCCC)=O>O.ClCCl.C(O)([O-])=O.[Na+]>C=1(C(=CC=CC1)S(=O)(=O)O)C.NCC(CCC(=O)OCCCCCC)=O | 3 |
[Cl:1][C:2]1[N:7]=[C:6](Cl)[CH:5]=[C:4]([C:9]2[CH:14]=[CH:13][CH:12]=[C:11]([S:15]([CH3:18])(=[O:17])=[O:16])[CH:10]=2)[N:3]=1.CCN(C(C)C)C(C)C.[NH:28]1[CH2:33][CH2:32][O:31][CH2:30][CH2:29]1>CCO>[Cl:1][C:2]1[N:7]=[C:6]([N:28]2[CH2:33][CH2:32][O:31][CH2:30][CH2:29]2)[CH:5]=[C:4]([C:9]2[CH:14]=[CH:13][CH:12]=[C:11]([S:15... | 1 |
CNN.O=C1N(C(C2=CC=CC=C12)=O)OCC1=CC=C(C=C1)CCC=1N=C(SC1C1=CC=C(C=C1)S(=O)(=O)C)NC(C)=O>N(C)(C)C=O>NOCC1=CC=C(C=C1)CCC=1N=C(SC1C1=CC=C(C=C1)S(=O)(=O)C)NC(C)=O | 3 |
COCCCN.ClC1=C(C(=CC=C1)Cl)CS(=O)(=O)C=1C=C2/C(/C(NC2=CC1)=O)=C/C1=C(C(=C(N1)C)C(=O)O)C>N(C)(C)C=O.CCN(CC)CC.OC1=CC=CC=2NN=NC21.Cl.CN(CCCN=C=NCC)C>COCCCNC(=O)C1=C(NC(=C1C)\C=C\1/C(NC2=CC=C(C=C12)S(=O)(=O)CC1=C(C=CC=C1Cl)Cl)=O)C | 3 |
C(C)(C)(C)OC(C1=CC(=CC=C1)OC(C)(C(NC=1SC=CN1)=O)C)=O>>CC(C)(OC=1C=C(C(=O)O)C=CC1)C(NC=1SC=CN1)=O | 5 |
FC(COS(=O)(=O)C(F)(F)F)F.FC(C(=O)O)(F)F.N1CC(C1)NC(=O)[C@@H]1C[C@H](C1)OC1=C(C=CC(=C1)F)OC(F)F>O1CCOCC1.C(C)(C)N(C(C)C)CC>FC(CN1CC(C1)NC(=O)[C@@H]1C[C@H](C1)OC1=C(C=CC(=C1)F)OC(F)F)F | 3 |
[C:1]([C:3]([C:6]1[CH:27]=[CH:26][C:9]([C:10]([NH:12][C:13]2[N:14]=[C:15]3[CH:20]=[CH:19][C:18]([C:21]([F:24])([F:23])[F:22])=[CH:17][N:16]3[CH:25]=2)=[O:11])=[CH:8][CH:7]=1)([CH3:5])[CH3:4])#[N:2]>N.CO>[NH2:2][CH2:1][C:3]([C:6]1[CH:7]=[CH:8][C:9]([C:10]([NH:12][C:13]2[N:14]=[C:15]3[CH:20]=[CH:19][C:18]([C:21]([F:24])(... | 2 |
[Se]=O.CC=1C=C2C=CC=NC2=CC1>>N1=CC=CC2=CC(=CC=C12)C=O | 5 |
O1C(CCCC1)OCC=1C=C(C=CC1)C1=NOC(N1)=O>C1CCCO1.Cl>OCC=1C=C(C=CC1)C1=NOC(N1)=O | 3 |
C1(C)C=CC(S([O-])(=O)=O)=CC=1.[NH+]1C=CC=CC=1.[F:18][C:19]1[C:20]([C:44]2[CH:49]=[CH:48][C:47]([N:50]3[N:54]=[CH:53][CH:52]=[N:51]3)=[CH:46][CH:45]=2)=[CH:21][C:22](=[O:43])[N:23]([CH2:25][CH2:26][C@@:27]([CH3:42])([S:38]([CH3:41])(=[O:40])=[O:39])[C:28]([NH:30][O:31]C2CCCCO2)=[O:29])[CH:24]=1>C(O)C>[F:18][C:19]1[C:20]... | 1 |
O1[C@@H](C1)CN1C(C=2C(C1=O)=CC=CC2)=O.CC1=C(C=CC(=C1)C)O>>NC[C@H](COC1=C(C=C(C=C1)C)C)O | 5 |
C(#N)CC(=O)OC(C)(C)C.ClC1=C(C(=O)OC)C(=CC=N1)I>>C(C)(C)(C)OC(C(C#N)C1=CC=NC(=C1C(=O)OC)Cl)=O | 5 |
[F:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[N:8]1[C:12]([CH2:13][O:14][CH3:15])=[C:11]([C:16]([OH:18])=O)[N:10]=[N:9]1.O[N:20]=[C:21]([NH2:30])[C:22]1[CH:27]=[CH:26][CH:25]=[CH:24][C:23]=1[O:28][CH3:29]>>[F:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[N:8]1[C:12]([CH2:13][O:14][CH3:15])=[C:11]([C:16]2[O:18][N:30]=[C:21](... | 2 |
OCC1(CC1)C1=C(C=CC=C1OCOC)O>C1CCCO1.c3c(P(c1ccccc1)c2ccccc2)cccc3.N(=NC(=O)OC(C)C)C(=O)OC(C)C>COCOC1=CC=CC2=C1C1(CC1)CO2 | 3 |
BrC1=CC=C(C=C1)[C@H](C)N>CC#N.O.C(=O)(C(F)(F)F)OC(=O)C(F)(F)F.CCN(CC)CC>BrC1=CC=C(C=C1)[C@H](C)NC(C(F)(F)F)=O | 3 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.C(C1=CC=CC=C1)OC(=O)Cl.C[C@H]1NCCNC1>>C[C@H]1N(CCNC1)C(=O)OCC1=CC=CC=C1 | 5 |
C1(NC(C2=CC=CC=C12)=O)=O.FC(OC1CN(C1)C1=CC(=NC=N1)CO)(F)F>C1CCCO1.c3c(P(c1ccccc1)c2ccccc2)cccc3.N(=NC(=O)OC(C)C)C(=O)OC(C)C>FC(OC1CN(C1)C1=CC(=NC=N1)CN1C(C2=CC=CC=C2C1=O)=O)(F)F | 3 |
C(C)OC(=O)C1=CN(C2=CC=CC=C12)C=1C=NC=C(C1)[C@H]1N(CCC1)C([C@H](C(C)C)NC([C@H](C)N(C)C(=O)OC(C)(C)C)=O)=O>O.C1CCCO1.CO[H].[OH-].[Li+]>C(C)(C)(C)OC(=O)N([C@H](C(=O)N[C@H](C(=O)N1[C@@H](CCC1)C=1C=C(C=NC1)N1C=C(C2=CC=CC=C12)C(=O)O)C(C)C)C)C | 3 |
CC1(C(C1)CO)CCC=C(C)C>>CC1(C(C1)CO)CCC1OC1(C)C | 5 |
COC1=CC=C(CN)C=C1.BrC=1C=C(C=C2C(C(N(C12)C(C)C)C=O)CC=O)C(=O)OC>O.CO[H].C(#N)[BH3-].[Na+]>BrC=1C=C(C=C2C3C(N(C12)C(C)C)CN(CC3)CC3=CC=C(C=C3)OC)C(=O)OC | 3 |
FC=1C(=NC=CN1)C1CCN(CC1)C(=O)OC(C)(C)C.CC=1C=CC(=NC1)NC1=CC=C(C=C1)O>CS(=O)C.CC(C)(C)[O-].[Na+]>C(C)(C)(C)OC(=O)N1CCC(CC1)C1=NC=CN=C1OC1=CC=C(C=C1)NC1=NC=C(C=C1)C | 3 |
[CH:1]1[C:13]2[CH2:12][C:11]3[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=3)[C:5]=2[CH:4]=[CH:3][CH:2]=1.C([Li:18])CCC>COC>[C:1]1([Li:18])[C:13]2[CH2:12][C:11]3[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=3)[C:5]=2[CH:4]=[CH:3][CH:2]=1 | 1 |
C[Si](C)(C)C=[N+]=[N-].C(CCCCC=C)(=O)O>>C(CCCCC=C)(=O)NN | 5 |
C1COCCN1.[Cl-].C(=O)(O)C1=CC2=C(N3[N+](=C2C=C1)CCC3)C3=CC=CC=C3>C(Cl)(Cl)(Cl)[H].ClS(Cl)=O>[Cl-].O1CCN(CC1)C(=O)C1=CC2=C(N3[N+](=C2C=C1)CCC3)C3=CC=CC=C3 | 3 |
[C:1]([OH:5])(=[O:4])[CH:2]=[CH2:3].C(C1C=C(C)C=C(C(C)(C)C)C=1O)(C)(C)C.C(N(CC)CC)C.[C:29]([Si:35]([CH:40]([CH3:42])[CH3:41])([CH:37]([CH3:39])[CH3:38])Cl)([CH:32]([CH3:34])[CH3:33])([CH3:31])[CH3:30]>C1(C)C=CC=CC=1>[C:1]([O:5][Si:35]([C:29]([CH:32]([CH3:34])[CH3:33])([CH3:31])[CH3:30])([CH:40]([CH3:41])[CH3:42])[CH:37... | 1 |
CC=1NC=C(N1)C(F)(F)F>CC#N.IN1C(CCC1=O)=O>IC1=C(N=C(N1)C)C(F)(F)F | 3 |
[CH:1]1([NH:4][C:5]2[S:6][CH:7]=[C:8]([C:10]3[CH:18]=[CH:17][C:13](C(O)=O)=[CH:12][CH:11]=3)[N:9]=2)[CH2:3][CH2:2]1.[CH3:19]I.[C:21](=[O:24])([O-])[O-:22].[K+].[K+].[Li+].[OH-].Cl>CN(C=O)C.CO.C1COCC1>[CH:1]1([N:4]([CH3:19])[C:5]2[S:6][CH:7]=[C:8]([C:10]3[CH:11]=[CH:12][CH:13]=[CH:17][C:18]=3[C:21]([OH:22])=[O:24])[N:9]... | 2 |
CC=1C=C(C=CC1OC)C(C)=O>>COC1=C(C=C(C=C1)C(CC(C)=O)=O)C | 5 |
[Cl:1][C:2]1[CH:11]=[C:10]([Cl:12])[C:9]2[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=2)[C:3]=1[OH:13].F[C:15]1[CH:20]=[CH:19][CH:18]=[CH:17][C:16]=1[N+:21]([O-:23])=[O:22].NC1C=CC=CC=1.[Cl:31][C:32]1[CH:41]=[C:40]([Cl:42])[C:39]2[C:34](=[CH:35][CH:36]=[CH:37][CH:38]=2)[C:33]=1[O:43][C:44]1[CH:50]=[CH:49][CH:48]=[CH:47][C:45]=1[NH... | 1 |
FC1=CC=C(C(=C1)C1=CC=C(C=C1)C(F)(F)F)C(=O)O.Cl.NCC1(C(NC(N1)=O)=O)C=1N=C(SC1C)C>>CC=1SC(=C(N1)C1(NC(NC1=O)=O)CNC(=O)C=1C(=CC(=CC1)F)C1=CC=C(C=C1)C(F)(F)F)C | 5 |
C(#N)CC(=O)O.C1(CCC1)NC(=O)N>C(C)(=O)OC(C)=O>NC1=CC(NC(N1C1CCC1)=O)=O | 3 |
[C:1]([CH:3]1[CH2:8][CH2:7][N:6]([C:9](=[O:36])[C@H:10]([NH:14][C:15]([C:17]2[C:25]3[C:20](=[N:21][CH:22]=[C:23]([C:26]#[CH:27])[N:24]=3)[N:19]([CH2:28][O:29][CH2:30][CH2:31][Si:32]([CH3:35])([CH3:34])[CH3:33])[CH:18]=2)=[O:16])[CH:11]2[CH2:13][CH2:12]2)[CH2:5][CH2:4]1)#[N:2].[N:37]([CH:40]1[CH2:44][CH2:43][CH2:42][CH2... | 1 |
O1CCC2=C1C=CC(=C2)C=2SC=C(N2)C(=O)O.Br.NC1=NC2=C(N1)C=CC(=C2)C(=O)C2=CSC=C2>N(C)(C)C=O.C1(=CC=NC=C1)N(C)C.C(C)(C)N(C(C)C)CC.CN(C)C(=[N+](C)C)ON1C2=C(C=CC=C2)N=N1.F[P-](F)(F)(F)(F)F>O1CCC2=C1C=CC(=C2)C=2SC=C(N2)C(=O)NC2=NC1=C(N2)C=CC(=C1)C(=O)C=1SC=CC1 | 3 |
[C-]#N.[Na+].COC[C@H]1C[C@@H](CN1C(=O)OCC1=CC=CC=C1)S(=O)(=O)C1=CC=C(C)C=C1>CS(=O)C>COC[C@@H]1C[C@@H](CN1C(=O)OCC1=CC=CC=C1)C#N | 3 |
O=C1C2=C(N=CN1)OC(=C2C2=CC=CC=C2)C2=CC=C(C=C2)C2(CCC2)NC(OC(C)(C)C)=O>C(=O)(C(F)(F)F)O>NC1(CCC1)C1=CC=C(C=C1)C1=C(C2=C(N=CNC2=O)O1)C1=CC=CC=C1 | 3 |
FC(F)(F)C(O)=O.[CH3:8][O:9][C:10](=[O:30])[CH2:11][C:12]1[C:21]([CH3:22])=[C:20]([CH:23]2[CH2:28][CH2:27][NH:26][CH2:25][CH2:24]2)[C:19]2[C:14](=[CH:15][CH:16]=[C:17]([F:29])[CH:18]=2)[CH:13]=1.C(N(CC)C(C)C)(C)C.[N:40]1([S:45](Cl)(=[O:47])=[O:46])[CH2:44][CH2:43][CH2:42][CH2:41]1>C(Cl)Cl>[CH3:8][O:9][C:10](=[O:30])[CH2... | 1 |
C(C)(C)(C)OC(=O)NC(C(=O)O)CNC1=C(C=CC=C1)[N+](=O)[O-]>CO[H].[HH].[Pd]>C(C)(C)(C)OC(=O)N[C@H](C(=O)O)CNC1=C(C=CC=C1)N | 3 |
ON1C(C=2C(C1=O)=CC=CC2)=O.FC(C=1C=C(C=CC1)S(=O)(=O)N1CCC(CC1)O)(F)F>C1CCCO1.c3c(P(c1ccccc1)c2ccccc2)cccc3.N(=NC(=O)OCC)C(=O)OCC>FC(C=1C=C(C=CC1)S(=O)(=O)N1CCC(CC1)ON1C(C2=CC=CC=C2C1=O)=O)(F)F | 3 |
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