smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
O1C(=CC2=C1C=CC=C2)C2=CN=C1N2N=C(C=C1)Cl.Cl.NC[C@@H]1C[C@H](C1)O>N(C)(C)C=O.[H-].[Na+]>O1C(=CC2=C1C=CC=C2)C2=CN=C1N2N=C(C=C1)O[C@@H]1C[C@H](C1)CN | 3 |
[CH2:1]([C@@H:8]([CH2:12][CH2:13][C@H:14]([CH2:34][C:35]1[CH:40]=[CH:39][CH:38]=[CH:37][CH:36]=1)[C:15]([NH:17][C@H:18]1[CH2:24][CH2:23][S:22][C@H:21]2[CH2:25][CH2:26][CH2:27][C@@H:28]([C:29]([O:31][CH3:32])=[O:30])[N:20]2[C:19]1=[O:33])=[O:16])[C:9](O)=[O:10])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[NH2:41][C@H:42]1[... | 1 |
C1(=CC=CC=C1)S(=O)(=O)N1C=CC=2C1=NC=C(C2Cl)[N+](=O)[O-].N[C@@H]1CC[C@H](CC1)C#N>C1CCCO1.C(C)(C)N(C(C)C)CC>C1(=CC=CC=C1)S(=O)(=O)N1C=CC=2C1=NC=C(C2N[C@@H]2CC[C@H](CC2)C#N)[N+](=O)[O-] | 3 |
C(#N)C=1C=NN2C1C(=CC(=C2)OCC)C=2C=CC(=NC2)N2CCC(CC2)(CO)NC(CC(C)C)=O>ClCCl.C(C)(=O)OI1(OC(C2=C1C=CC=C2)=O)(OC(C)=O)OC(C)=O>C(#N)C=1C=NN2C1C(=CC(=C2)OCC)C=2C=CC(=NC2)N2CCC(CC2)(C=O)NC(CC(C)C)=O | 3 |
C(C)(=O)OCC1=C(C=CC=C1N1C(C=2N(C=3CCCCC3C2)CC1)=O)C=1N=C(C(N(C1)C)=O)NC=1C=NN(C1)C1CC1>>C1(CC1)N1N=CC(=C1)NC=1C(N(C=C(N1)C=1C(=C(C=CC1)N1C(C=2N(C=3CCCCC3C2)CC1)=O)CO)C)=O | 5 |
C(Cl)(=O)C(Cl)=O.CS(C)=O.[CH2:11]([N:18]1[C:23]([CH2:25][OH:26])([CH3:24])[CH2:22][O:21][C:20]([CH3:28])([CH3:27])[C:19]1=[O:29])[C:12]1[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=1.C(N(CC)CC)C>ClCCl.O>[CH2:11]([N:18]1[C:19](=[O:29])[C:20]([CH3:27])([CH3:28])[O:21][CH2:22][C:23]1([CH3:24])[CH:25]=[O:26])[C:12]1[CH:17]=[CH:16... | 2 |
NC1=CC(=NC=N1)CO.BrC1=NC=CC2=C1SC(=N2)C2=C(C#N)C=C(C=C2Cl)F>>Cl.ClC=1C(=C(C#N)C=C(C1)F)C=1SC=2C(=NC=CC2N1)NC1=NC=NC(=C1)CO | 5 |
Cl.CN.C(C1=CC=CC=C1)N(C(CCl)=O)[C@H](C(F)F)CO>C1CCCO1.CCN(CC)CC>C(C1=CC=CC=C1)N(C(CNC)=O)[C@H](C(F)F)CO | 3 |
C(C)(C)(C)OC(N(C)C)OC(C)(C)C.ClC1=CC=C(C=C1)C=1N=C(C(=NC1C1=CC=C(C=C1)Cl)C(=O)O)CN1N=CN=N1>C1(=CC=CC=C1)C>ClC1=CC=C(C=C1)C=1N=C(C(=NC1C1=CC=C(C=C1)Cl)C(=O)OC(C)(C)C)CN1N=CN=N1 | 3 |
C(OC([NH:8][CH2:9][CH2:10][CH2:11][O:12][CH2:13][O:14][CH2:15][CH2:16][N:17]1[C:21]2[CH:22]=[CH:23][C:24]([C:26]([OH:28])=O)=[CH:25][C:20]=2[N:19]=[C:18]1[CH3:29])=O)(C)(C)C.[NH2:30][C:31]1[S:32][CH:33]=[C:34]([C:36]2[CH:41]=[CH:40][N:39]=[CH:38][CH:37]=2)[N:35]=1>>[N:39]1[CH:38]=[CH:37][C:36]([C:34]2[N:35]=[C:31]([NH:... | 2 |
C(C1=CC=CC=C1)(=O)Cl.C(C)(C)(C)NNC(=O)C1=NC=CC=C1>C1(=CC=CC=C1)C.[OH-].[Na+]>C(C)(C)(C)N(NC(=O)C1=NC=CC=C1)C(C1=CC=CC=C1)=O | 3 |
ClC1=CC2=C(N(C(N=C2N2C[C@H](N(C[C@@H]2C)C(=O)OC(C)(C)C)C)=O)C=2C(=NC=CC2C)C(C)C)N=C1C1=C(C=CC=C1O)F>ClCCl.C(=O)(C(F)(F)F)O>ClC1=CC2=C(N(C(N=C2N2[C@H](CN[C@@H](C2)C)C)=O)C=2C(=NC=CC2C)C(C)C)N=C1C1=C(C=CC=C1O)F | 3 |
C[C@@H](C1=CC=CC=C1)N.ClC1=NC2=CC=CC=C2C(=C1[N+](=O)[O-])Cl>>ClC1=NC2=CC=CC=C2C(=C1[N+](=O)[O-])N[C@@H](C)C1=CC=CC=C1 | 5 |
C(CCC)N(CCCCCN(C1=CC=CC=C1)CCCC)C1=CC=CC=C1>N(C)(C)C=O.O.C(C)(=O)OCC.P(=O)(Cl)(Cl)Cl.C(C)(=O)[O-].[Na+]>C(CCC)N(CCCCCN(C1=CC=C(C=C1)C=O)CCCC)C1=CC=C(C=C1)C=O | 3 |
I[C:2]1[CH:7]=[CH:6][C:5]([OH:8])=[CH:4][CH:3]=1.[F:9][C:10]1[CH:15]=[CH:14][C:13](B(O)O)=[CH:12][CH:11]=1.C(=O)([O-])[O-].[Cs+].[Cs+]>CN(C=O)C.C(OCC)(=O)C.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=CC=2)[P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2... | 1 |
CI.BrC1=CC=C2C(=N1)N(C=C2)CC(C)(O)C>N(C)(C)C=O.O.[H-].[Na+]>BrC1=CC=C2C(=N1)N(C=C2)CC(C)(C)OC | 3 |
[CH3:1][C:2]1[N:3]=[C:4]2[S:22][CH:21]=[CH:20][N:5]2[C:6](=[O:19])[C:7]=1[C:8]1[CH:13]=[CH:12][C:11]([O:14][C:15]([F:18])([F:17])[F:16])=[CH:10][CH:9]=1.[CH:23]1([CH2:27][O:28][C:29]2[C:36]([O:37][CH3:38])=[CH:35][CH:34]=[CH:33][C:30]=2[CH:31]=O)[CH2:26][CH2:25][CH2:24]1.[O-]CC.[Na+]>C(O)C>[CH:23]1([CH2:27][O:28][C:29]... | 1 |
[C:1]1([CH:7]([C:11]2[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=2)[C:8]([NH2:10])=[O:9])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[CH2:17]([C:22](Cl)=[O:23])[CH2:18][CH2:19][CH2:20][CH3:21]>>[C:1]1([CH:7]([C:11]2[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=2)[C:8]([NH:10][C:22]([CH2:17][CH2:18][CH2:19][CH2:20][CH3:21])=[O:23])=[O:9])[CH:... | 1 |
[CH:1]1[C:6]([C:7]2[C:16](=[O:17])[C:15]3[CH:14]=[CH:13][C:12]([OH:18])=[CH:11][C:10]=3[O:9][CH:8]=2)=[CH:5][CH:4]=[C:3]([OH:19])[CH:2]=1.[C:20]([O-])([O-])=O.[K+].[K+].IC>CS(C)=O>[CH3:20][O:18][C:12]1[CH:11]=[C:10]2[C:15]([C:16](=[O:17])[C:7]([C:6]3[CH:5]=[CH:4][C:3]([OH:19])=[CH:2][CH:1]=3)=[CH:8][O:9]2)=[CH:14][CH:1... | 1 |
CS(=O)(=O)N.COC(\C=C\C1CC1)=O>O.C([O-])([O-])=O.[K+].[K+].O.O.[O-][Os](=O)(=O)[O-].[K+].[K+].C(O)([O-])=O.[Na+].CC(C)(C)O.[Fe-3](C#N)(C#N)(C#N)(C#N)(C#N)C#N.[K+].[K+].[K+].[O-]S(=O)(=S)[O-].[Na+].[Na+].CCC1CN2CCC1CC2C(C3=C4C=C(C=CC4=NC=C3)OC)OC5=NN=C(C6=CC=CC=C65)OC(C7CC8CCN7CC8CC)C9=C1C=C(C=CC1=NC=C9)OC>C1(CC1)[C@H]([... | 3 |
NC(=O)C=1C=C(C=C2C(=CNC12)C=1CCN(CC1)C(=O)OC(C)(C)C)Br>>NC(=O)C=1C=C(C=C2C(=CNC12)C1CCN(CC1)C(=O)OC(C)(C)C)Br | 5 |
C(C)(C)(C)C=1C=CC(=C(C1)C(CC)O)OC1=CC=NC2=CC(=C(C=C12)OC)OC>>C(C)(C)(C)C=1C=CC(=C(C1)C(CC)=O)OC1=CC=NC2=CC(=C(C=C12)OC)OC | 5 |
[Cl:1][C:2]1[CH:3]=[C:4]([C@H:8]([NH:10][C@H:11]2[CH2:15][CH2:14][C@@H:13]([C:16]3[CH:17]=[N:18][C:19](F)=[CH:20][CH:21]=3)[CH2:12]2)[CH3:9])[CH:5]=[CH:6][CH:7]=1.Cl.[NH2:24][CH2:25][CH2:26][S:27]([NH2:30])(=[O:29])=[O:28]>>[Cl:1][C:2]1[CH:3]=[C:4]([C@H:8]([NH:10][C@H:11]2[CH2:15][CH2:14][C@@H:13]([C:16]3[CH:21]=[CH:20... | 2 |
C(#C)C1=CC=CC=C1.C[SiH](Cl)C>C1CCCO1.C(CCC)[Li]>C[Si](C#CC1=CC=CC=C1)(C#CC1=CC=CC=C1)C | 3 |
FC1C=C(F)C=CC=1C1C=C(CN2C(=O)C3=CC=CC=C3C2=O)C(=O)N(CC(C)C)N=1.[C:32]([C:35]1[C:36](=[O:59])[N:37]([CH2:49][CH:50]=[CH:51][C:52]2[CH:57]=[CH:56][C:55]([Cl:58])=[CH:54][CH:53]=2)[N:38]=[C:39]([C:41]2[CH:46]=[CH:45][C:44]([F:47])=[C:43]([CH3:48])[CH:42]=2)[CH:40]=1)(O)=[O:33]>>[Cl:58][C:55]1[CH:54]=[CH:53][C:52]([CH:51]=... | 1 |
BrC1=CC(=C(C=C1)N=C=S)F.ClC1=NC=CC=C1CC#N>>BrC1=CC(=C(C=C1)NC1=C(C=2C(=NC=CC2)S1)C#N)F | 5 |
FC=1C(=C(C=CC1F)C(=O)[C@H]1O[C@H]([C@H]2[C@@H]1OC(O2)(C)C)N2C=CC1=C2N=CN=C1Cl)OCOC>C1(=CC=CC=C1)C.CC(C)C[AlH]CC(C)C.C(C)(=O)OCC>FC=1C(=C(C=CC1F)[C@@H](O)[C@H]1O[C@H]([C@H]2[C@@H]1OC(O2)(C)C)N2C=CC1=C2N=CN=C1Cl)OCOC | 3 |
C(C1=CC=CC=C1)N1C(=C(C2=CC=C(C=C12)Cl)OC=1C=C(C=CC1)CC#N)C>>C(C1=CC=CC=C1)N1C(=C(C2=CC=C(C=C12)Cl)OC1=CC(=CC=C1)CC=1N=NNN1)C | 5 |
FC1=NC=C(C(=C1)OCC(F)(F)F)[N+](=O)[O-]>CCO[H].[HH].[Pd]>FC1=CC(=C(C=N1)N)OCC(F)(F)F | 3 |
CC(C[C@H](CC)O)CCC=C>C1(=CC=NC=C1)N(C)C.ClCCl.c1ccncc1.C1(=CC=C(C=C1)S(=O)(=O)Cl)C>CC1=CC=C(C=C1)S(=O)(=O)O[C@@H](CC)CC(CCC=C)C | 3 |
C1CCCO1>O>ClC1=CC(=C(CN2C3=C(OCC2)C=CC(=C3)C3CCN(CC3)CC3=NC2=C(N3C)C=C(C=C2OC(F)F)C(=O)O)C=C1)F | 3 |
[C:1]([O:5][C:6]([C@@:8]1([CH2:22][OH:23])[CH2:12][C:11](=[O:13])[N:10]([C@@H:14]([C:16]2[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=2)[CH3:15])[CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].C(N(CC)CC)C.CS(C)=O>ClCCl>[C:1]([O:5][C:6]([C@@:8]1([CH:22]=[O:23])[CH2:12][C:11](=[O:13])[N:10]([C@@H:14]([C:16]2[CH:21]=[CH:20][CH:19]=[CH... | 1 |
ClC1=C(C=CC(=C1)C(F)(F)F)N1N=NC(=C1C)C1=CC=C(C=C1)OC>BrN1C(CCC1=O)=O.C(C1=CC=CC=C1)(=O)OOC(C1=CC=CC=C1)=O.C(Cl)(Cl)(Cl)Cl>BrCC1=C(N=NN1C1=C(C=C(C=C1)C(F)(F)F)Cl)C1=CC=C(C=C1)OC | 3 |
[N+](=O)([O-])C1=CC=C(C=C1)O[Si](C(C)(C)C)(C)C>ClCCl.[HH].[Pd]>C[Si](C(C)(C)C)(OC1=CC=C(C=C1)N)C | 3 |
NC1=C(C(=NC(=N1)S(=O)(=O)C)N(CC(=O)OCC)CC1=CC=C(C=C1)OC1=CC=C(C=C1)CN(C)C(=O)OC(C)(C)C)[N+](=O)[O-]>C(=O)(C(F)(F)F)O.C(CCC)O>C(C)C(N(CC1=CC=C(C=C1)OC1=CC=C(C=C1)CN(C)C(=O)OC(C)(C)C)C1=NC(=NC(=C1[N+](=O)[O-])N)OCCCC)C(=O)O | 3 |
ClC1=CC(=C(C=C1)B(O)O)F.BrC=1C=CC(=C(C1)C1C(C(OC(C1=O)(C)C)(C)C)=O)CC>>ClC1=CC(=C(C=C1)C1=CC(=C(C=C1)CC)C1C(C(OC(C1=O)(C)C)(C)C)=O)F | 5 |
C(C)(=O)C1=CC2=CC=C(C=C2C=C1)OC>CCO[H].[Cu]Br>BrCC(=O)C1=CC2=CC=C(C=C2C=C1)OC | 3 |
C1(CCCC1)C=C(C1=CC=2C(=NC=C(C2)OC)N1)C1=CC=C(C=C1)C(C)(C)O>CO[H].[HH].[Pd]>C1(CCCC1)CC(C1=CC=2C(=NC=C(C2)OC)N1)C1=CC=C(C=C1)C(C)(C)O | 3 |
CC1(OC[C@@H](O1)C=1N=CC(=NC1)N)C.CSCC[C@@H](C(=O)O)N1C(C2=CC=CC(=C2C1)C(F)(F)F)=O>N(C)(C)C=O.C1(=NC(=CC=C1)C)C.ClCCl.C(C(=O)Cl)(=O)Cl>CC1(OC[C@@H](O1)C=1N=CC(=NC1)NC([C@H](CCSC)N1C(C2=CC=CC(=C2C1)C(F)(F)F)=O)=O)C | 3 |
C(C)OC(=C)[Sn](CCCC)(CCCC)CCCC.COC(CC1=CC=C(C=C1)OC=1C2=C(N=C(N1)Cl)CCC2)=O>ClCCl.O1CCOCC1.[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>C(C)OC(=C)C=1N=C(C2=C(N1)CCC2)OC2=CC=C(C=C2)CC(=O)OC | 3 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.NC(CCCCC(=O)O)C>ClCCl>C(C)(C)(C)OC(=O)NCCCCCC(=O)O | 3 |
[F:1][C:2]([F:7])([F:6])[C:3]([OH:5])=[O:4].[NH2:8][CH2:9][C:10]([NH:12][C@H:13]([C:18]([N:20]1[CH2:47][CH2:46][CH2:45][C@H:21]1[C:22]([NH:24][CH2:25][CH2:26][CH2:27][NH:28][C:29]1[C:42]2[C:41](=[O:43])[C:40]3[C:35](=[CH:36][CH:37]=[CH:38][CH:39]=3)[C:34](=[O:44])[C:33]=2[CH:32]=[CH:31][CH:30]=1)=[O:23])=[O:19])[CH2:14... | 2 |
C(C)(C)(C)C=1C=C2C(C(NC(C2=CC1)=O)=O)=COC.OC1=C(C=CC(=C1)CNC=C1C(NC(C2=CC=C(C=C12)I)=O)=O)C1=CC=CC=C1.NCC=1C=CC(=C(C1)O)C1=COC=C1>>C(C)(C)(C)C=1C=C2C(C(NC(C2=CC1)=O)=O)=CNCC1=CC(=C(C=C1)C1=COC=C1)O | 5 |
[CH3:1][C:2]([OH:13])([CH3:12])[CH2:3][N:4]1[CH:8]=[CH:7][C:6]([N+:9]([O-:11])=[O:10])=[N:5]1.CN(C=O)C.[H-].[Na+].[C:21]([O:24][CH2:25][CH3:26])(=O)C>[NH4+].[Cl-]>[CH3:12][C:2]([O:13][CH2:26][C@H:25]1[CH2:21][O:24]1)([CH3:1])[CH2:3][N:4]1[CH:8]=[CH:7][C:6]([N+:9]([O-:11])=[O:10])=[N:5]1 | 1 |
ClS(=O)(=O)O.FC(C(F)(F)F)(OC1=CC=C(C=C1)C(F)(F)F)F.FC(C(F)(F)F)(OC1=CC=C(C(=O)O)C=C1)F>N(C)(C)C=O.S(O)(O)(=O)=O.ClS(Cl)=O>FC(C(F)(F)F)(OC1=CC=C(C(=O)Cl)C=C1)F | 3 |
C(N)(=O)C1=CC=CC=2NC(=NC21)C2=CC=C(S2)C2N(CCC2)C(=O)OC(C)(C)C>>N1C(CCC1)C1=CC=C(S1)C1=NC2=C(N1)C=CC=C2C(=O)N | 5 |
[Br-].C[Mg+].BrC=1C=C2CCC(C2=CC1)N1[C@H](CN(CC1)C1(CCN(CC1)C(=O)OC(C)(C)C)C#N)C>>BrC=1C=C2CCC(C2=CC1)N1[C@H](CN(CC1)C1(CCN(CC1)C(=O)OC(C)(C)C)C)C | 5 |
C(C)OP(=O)(OCC)ON1N=NC2=C(C1=O)C=CC=C2.N[C@H]([C@H](C[C@H](CC1=CC=C(C=C1)C1=NC=CC=C1)NC(=O)[C@H](C(C)(C)C)NC(OC)=O)O)CC1=CC=CC=C1.NC(=O)NC[C@H](NC(=O)OC)C(=O)O>>COC(N[C@H](C(N[C@H]([C@H](C[C@@H](NC([C@@H](NC(OC)=O)C(C)(C)C)=O)CC1=CC=C(C=C1)C1=NC=CC=C1)O)CC1=CC=CC=C1)=O)CNC(=O)N)=O | 5 |
[CH3:1][C:2]([OH:26])([CH3:25])[CH2:3][O:4][C:5]1[CH:14]=[C:13]2[C:8]([C:9]([O:15][C:16]3[CH:21]=[CH:20][C:19]([N+:22]([O-])=O)=[CH:18][CH:17]=3)=[CH:10][CH:11]=[N:12]2)=[CH:7][CH:6]=1.C(O[K])=O>O.C1COCC1.[Pd]>[NH2:22][C:19]1[CH:20]=[CH:21][C:16]([O:15][C:9]2[C:8]3[C:13](=[CH:14][C:5]([O:4][CH2:3][C:2]([CH3:25])([OH:26... | 1 |
CI.C(C)(C)(C)OC(NC=1N(C(C[C@](N1)(C1=CC(=CC=C1)[N+](=O)[O-])C)=O)C)=O>>C(C)(C)(C)OC(NC=1N(C([C@@H]([C@](N1)(C1=CC(=CC=C1)[N+](=O)[O-])C)C)=O)C)=O | 5 |
ClC1=NC=C(C=N1)CC.Cl.CS(=O)(=O)C1=CC=C(C=C1)C=1C(=NSN1)C=1CCNCC1>N(C)(C)C=O.O>C(C)C=1C=NC(=NC1)N1CC=C(CC1)C1=NSN=C1C1=CC=C(C=C1)S(=O)(=O)C | 3 |
N(=[N+]=[N-])CCOC1=CC=C(C=C1)C=1N(C2=CC(=CC=C2C1C#N)OC)CC>CO[H].Cl.[HH].[Pd]>NCCOC1=CC=C(C=C1)C=1N(C2=CC(=CC=C2C1C#N)OC)CC | 3 |
[S:1]1[CH:5]=[CH:4][CH:3]=[C:2]1[C:6]1([C:9]#[N:10])[CH2:8][CH2:7]1.C([Li])CCC.CN([CH:19]=[O:20])C>C1COCC1>[CH:19]([C:5]1[S:1][C:2]([C:6]2([C:9]#[N:10])[CH2:8][CH2:7]2)=[CH:3][CH:4]=1)=[O:20] | 2 |
[C:1]([O:6][CH3:7])(=O)[C@H:2]([CH3:4])O.S(OS(C(F)(F)F)(=O)=O)(C(F)(F)F)(=O)=O.N1[C:28]([CH3:29])=[CH:27][CH:26]=[CH:25][C:24]=1C.C([SH:37])CCCCC>CC#N>[CH3:7][O:6][C:1](=[S:37])[C@@H:2]([CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH3:29])[CH3:4] | 1 |
FC1=CC=C(OC2=CC=C(C=C2)B2OC(C(O2)(C)C)(C)C)C=C1.ClC1=NC(=CC(=N1)C(=O)N)N1C[C@@H]([C@H](C1)O)O>O1CCOCC1.C([O-])([O-])=O.[Na+].[Na+].C1=CC=C(C=C1)P([C-]2C=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P([C-]2C=CC=C2)C3=CC=CC=C3.Cl[Pd]Cl.[Fe+2]>O[C@H]1CN(C[C@@H]1O)C1=CC(=NC(=N1)C1=CC=C(C=C1)OC1=CC=C(C=C1)F)C(=O)N | 3 |
[Br-].C(C)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1.O=C1CCN(CC1)C(=O)OCC1=CC=CC=C1>C1CCCO1.C[Si](C)(C)[N-][Si](C)(C)C.[Li+]>C(C)=C1CCN(CC1)C(=O)OC(C)(C)C | 3 |
FC1=C(N)C(=CC=C1)F.ClS(=O)(=O)C1=NN2C(C(=CC=C2Cl)OC)=N1>CC#N.O.ClCCl.c1ccncc1.CS(=O)C>FC1=C(C(=CC=C1)F)NS(=O)(=O)C1=NN2C(C(=CC=C2Cl)OC)=N1 | 3 |
[C:1]([C:5]1[N:10]=[CH:9][N:8]=[C:7]([NH:11][C:12]([NH:14][CH3:15])=[O:13])[CH:6]=1)([CH3:4])([CH3:3])[CH3:2].[CH:16]([CH:18]=[O:19])=[O:17]>C(O)C>[C:1]([C:5]1[N:10]=[CH:9][N:8]=[C:7]([N:11]2[CH:16]([OH:17])[CH:18]([OH:19])[N:14]([CH3:15])[C:12]2=[O:13])[CH:6]=1)([CH3:4])([CH3:2])[CH3:3] | 2 |
C1(CCCC1)N.C1(=CC=CC=C1)S(=O)(=O)C1=NNC2=CC=C(C=C12)OCCOS(=O)(=O)C1=CC=C(C=C1)C>>C1(=CC=CC=C1)S(=O)(=O)C1=NNC2=CC=C(C=C12)OCCN1CCCC1 | 5 |
[CH3:1][N:2]1[CH:6]=[N:5][C:4]([C:7]2[CH:12]=[CH:11][CH:10]=[CH:9][CH:8]=2)=[N:3]1.[Li]CCCC.[CH2:18]([C:20]1[CH:21]=[C:22]([CH:25]=[CH:26][CH:27]=1)[CH:23]=[O:24])[CH3:19].[Cl-].[NH4+]>C1COCC1>[CH2:18]([C:20]1[CH:21]=[C:22]([CH:23]([C:6]2[N:2]([CH3:1])[N:3]=[C:4]([C:7]3[CH:8]=[CH:9][CH:10]=[CH:11][CH:12]=3)[N:5]=2)[OH:... | 1 |
BrC1=NN(C2=CC=CC=C12)C1OCCCC1.C1(CC1)N1N=CC(=C1)C=1C=C2NC[C@@H](N(C2=CC1)C(C)=O)C>>C1(CC1)N1N=CC(=C1)C=1C=C2N(C[C@@H](N(C2=CC1)C(C)=O)C)C1=NN(C2=CC=CC=C12)C1OCCCC1 | 5 |
C(Cl)(Cl)Cl.[N:5]1([CH2:11][CH:12]2[S:24][C:16]3=[N:17][C:18]4[CH:23]=[CH:22][CH:21]=[CH:20][C:19]=4[N:15]3[CH2:14][CH2:13]2)[CH2:10][CH2:9][NH:8][CH2:7][CH2:6]1.[CH2:25]([N:27]([CH2:30][CH3:31])[CH2:28][CH3:29])[CH3:26].[OH2:32]>>[S:24]1[C:16]2=[N:17][C:18]3[CH:23]=[CH:22][CH:21]=[CH:20][C:19]=3[N:15]2[CH2:14][CH2:13]... | 1 |
C[N+](=O)([O-]).IC1=CC=C(C(=O)Cl)C=C1>C1(=CC=CC=C1)OC.FC(S(=O)(=O)[O-])(F)F.[Yb+3].FC(S(=O)(=O)[O-])(F)F.FC(S(=O)(=O)[O-])(F)F>IC1=CC=C(C=C1)C(=O)C1=CC=C(C=C1)OC | 3 |
[CH3:1][O:2][C:3]1[CH:4]=[CH:5][C:6]2[C:7]([CH3:62])([CH3:61])[C:8]3[C:13]([O:14][C:15]=2[C:16]=1[CH2:17][C:18]([O:20]CC1C=CC=CC=1)=[O:19])=[C:12]([CH2:28][NH:29][C:30](=[O:58])[C@H:31]([CH3:57])[NH:32][C:33](=[O:56])[C@H:34]([CH2:44][C:45]1[CH:50]=[CH:49][C:48]([O:51][C:52]([CH3:55])([CH3:54])[CH3:53])=[CH:47][CH:46]=... | 1 |
[N+](=O)([O-])C1=CC=C(C=C1)CCS(=O)(=O)O>ClCCl.ClS(Cl)=O.S(=O)(=O)(Cl)Cl.CNC>CN(S(=O)(=O)CCC1=CC=C(C=C1)[N+](=O)[O-])C | 3 |
[CH3:1][C:2]1[NH:3][C:4]2[C:9]([CH:10]=1)=[C:8]([C:11]([F:14])([F:13])[F:12])[CH:7]=[CH:6][CH:5]=2.[BH3-]C#N.[Na+].[CH3:19][C:20](OC(C)=O)=[O:21]>CN(C1C=CN=CC=1)C.C(Cl)Cl>[C:20]([N:3]1[C:4]2[C:9](=[C:8]([C:11]([F:12])([F:14])[F:13])[CH:7]=[CH:6][CH:5]=2)[CH2:10][CH:2]1[CH3:1])(=[O:21])[CH3:19] | 1 |
C(C1=CC=CC=C1)(=O)Cl.CC1=CC=C(C(=O)N2C[C@@H](CCC2)N)C=C1>[OH-].[Na+]>CC1=CC=C(C(=O)N2C[C@@H](CCC2)NC(C2=CC=CC=C2)=O)C=C1 | 3 |
[CH3:1][C:2]1[CH:3]=[C:4]([CH:30]=[CH:31][C:32]=1[CH3:33])[CH2:5][CH:6]([CH2:10][C:11](=[O:29])[N:12]1[CH2:17][CH2:16][CH:15]([N:18]2[CH2:27][C:26]3[C:21](=[CH:22][CH:23]=[CH:24][CH:25]=3)[NH:20][C:19]2=[O:28])[CH2:14][CH2:13]1)[C:7](O)=[O:8].[CH3:34][S:35]([N:38]1[CH2:43][CH2:42][N:41]([CH:44]2[CH2:49][CH2:48][NH:47][... | 1 |
S1C=CC2=NC=CC(=C21)CC(=O)O>CCO[H].N.[Cl-].[NH4+]>S1C=CC2=NC=CC(=C21)CC(=O)N | 3 |
[CH:1]1([N:4]([CH:30]2[CH2:32][CH2:31]2)[C:5]([C:7]2[N:27]([CH2:28][CH3:29])[C:10]3=[N:11][C:12]([NH:19]/[C:20](/SC)=[CH:21]/[C:22](=[O:24])[CH3:23])=[C:13]4[N:17]=[CH:16][N:15]([CH3:18])[C:14]4=[C:9]3[CH:8]=2)=[O:6])[CH2:3][CH2:2]1.[NH2:33]O>C(O)C.CO>[CH:1]1([N:4]([CH:30]2[CH2:32][CH2:31]2)[C:5]([C:7]2[N:27]([CH2:28][... | 1 |
C(C)(C)NC(CN(C=1C2=C(N=C(N1)C1=NC=CC(=C1)OCC(C)(OC1OCCCC1)C)CCC2)C)=O>>OC(COC1=CC(=NC=C1)C=1N=C(C2=C(N1)CCC2)N(CC(=O)NC(C)C)C)(C)C | 5 |
C(C)OC(CC(=O)NC(CC(=O)OCC)(C)C)=O>C1(=CC=CC=C1)C>CC1(CC(C(C(N1)=O)C(=O)OCC)=O)C | 3 |
Br[C:2]1[CH:3]=[CH:4][C:5]2[C:6]3[CH2:16][N:15]([C:17]([O:19][C:20]([CH3:23])([CH3:22])[CH3:21])=[O:18])[CH2:14][CH2:13][CH2:12][C:7]=3[N:8]([CH3:11])[C:9]=2[CH:10]=1.[Cl:24][C:25]1[CH:39]=[CH:38][C:28]([CH2:29][CH2:30][N:31]2[CH2:36][CH2:35][NH:34][C:33](=[O:37])[CH2:32]2)=[CH:27][CH:26]=1>>[Cl:24][C:25]1[CH:26]=[CH:2... | 1 |
[CH3:1][C:2]1[CH:7]=[C:6]([CH3:8])[CH:5]=[CH:4][C:3]=1[OH:9].C(N(CC)CC)C.[CH3:17][Si:18](Cl)([CH3:20])[CH3:19].C(OCC)(=O)C>ClCCl.O>[CH3:17][Si:18]([CH3:20])([CH3:19])[C:3]1([OH:9])[CH:4]=[CH:5][C:6]([CH3:8])=[CH:7][CH:2]1[CH3:1] | 1 |
N=1N2C(C(=NC1)O)=CC=C2>C1(=CC=CC=C1)C.C(C)(C)N(C(C)C)CC.P(=O)(Cl)(Cl)Cl>ClC1=NC=NN2C1=CC=C2 | 3 |
C(C)(=O)OC1=CC=C(C=C1)N1C(=NC2=C1C=CC=C2)N(C(C)=O)C(C)=O>>OC1=CC=C(C=C1)N1C(=NC2=C1C=CC=C2)NC(C)=O | 5 |
C1(CCCCC1)N=C=O.C(CC(=O)Cl)(=O)Cl.C(C1=CC=CC=C1)OC(=O)N1CCC(CC1)N>>C1(CCCCC1)N1C(N(C(CC1=O)=O)C1CCN(CC1)C(=O)OCC1=CC=CC=C1)=O | 5 |
FC1(CC(C1)=O)F.C12CNCC(CC1)N2C=2SC(=C(N2)C=2C(=C(C=CC2)NS(=O)(=O)C2=C(C=CC=C2F)F)F)C2=NC(=NC=C2)Cl>CO[H].ClCCCl.C(#N)[BH3-].[Na+]>ClC1=NC=CC(=N1)C1=C(N=C(S1)N1C2CN(CC1CC2)C2CC(C2)(F)F)C=2C(=C(C=CC2)NS(=O)(=O)C2=C(C=CC=C2F)F)F | 3 |
[NH2:1][C@@H:2]([CH3:18])[CH2:3][N:4]1[CH:8]=[CH:7][C:6]([C:9]2[CH:16]=[CH:15][C:12]([C:13]#[N:14])=[C:11]([Cl:17])[CH:10]=2)=[N:5]1.[CH2:19]([C:23]1[N:24]([CH3:32])[CH:25]=[C:26]([C:28](OC)=[O:29])[N:27]=1)[CH2:20][CH2:21][CH3:22]>>[CH2:19]([C:23]1[N:24]([CH3:32])[CH:25]=[C:26]([C:28]([NH:1][C@@H:2]([CH3:18])[CH2:3][N... | 1 |
[CH3:1][N:2]1[CH:7]2[CH2:8][CH2:9][CH:3]1[CH2:4][N:5]([C:10]1[N:15]=[N:14][C:13]([C:16]#[C:17][C:18]3[CH:23]=[CH:22][C:21]([NH2:24])=[CH:20][CH:19]=3)=[CH:12][CH:11]=1)[CH2:6]2.[C:25](Cl)(=[O:32])[C:26]1[CH:31]=[CH:30][CH:29]=[CH:28][CH:27]=1.[OH-].[Na+]>ClCCl>[CH3:1][N:2]1[CH:7]2[CH2:8][CH2:9][CH:3]1[CH2:4][N:5]([C:10... | 1 |
N1CCNCC1.ClC=1C2=C(N=C(N1)C1=CC=NC=C1)C=NC=C2>CN(C(C)=O)C>N1=CC=C(C=C1)C=1N=C(C2=C(N1)C=NC=C2)N2CCNCC2 | 3 |
C(C)I.C(C)(=O)N1CC2(CC1)CN(C1=CC=C(C=C12)O)C(C(F)(F)F)=O>N(C)(C)C=O.C(=O)([O-])[O-].[Cs+].[Cs+]>C(C)(=O)N1CC2(CC1)CN(C1=CC=C(C=C12)OCC)C(C(F)(F)F)=O | 3 |
C(C1=CC=CC=C1)OC(N[C@@H](C)C(N[C@@H](CC1=CNC2=CC=CC=C12)C(N[C@H](C(O)C(N(C)CC1=CC=CC=C1)=O)CC1=CC=CC=C1)=O)=O)=O>ClCCl.C(C)(=O)OI1(OC(C2=C1C=CC=C2)=O)(OC(C)=O)OC(C)=O>C(C1=CC=CC=C1)OC(N[C@@H](C)C(N[C@@H](CC1=CNC2=CC=CC=C12)C(N[C@H](C(=O)C(N(C)CC1=CC=CC=C1)=O)CC1=CC=CC=C1)=O)=O)=O | 3 |
O1[C@H](CNC2=CC(=C(C=C2)N2CCOCC2)F)C1>>C(C)OC(N(C1=CC(=C(C=C1)N1CCOCC1)F)C[C@@H]1CO1)=O | 5 |
C(C)I.COC=1C=CC=C2C(=CC(=CC12)C(=O)OCC)O>>C(C)OC1=CC(=CC2=C(C=CC=C12)OC)C(=O)OCC | 5 |
[Cl:1][CH2:2][CH2:3][CH2:4][N:5]1[CH2:10][CH2:9][N:8]([C:11]2[CH:16]=[CH:15][CH:14]=[CH:13][C:12]=2[O:17][CH3:18])[CH2:7][CH2:6]1.[NH2:19][C:20]1[CH:30]=[CH:29][C:28]([Cl:31])=[CH:27][C:21]=1[C:22]([N:24]([CH3:26])[CH3:25])=[O:23]>>[ClH:1].[Cl:31][C:28]1[CH:29]=[CH:30][C:20]([NH:19][CH2:2][CH2:3][CH2:4][N:5]2[CH2:10][C... | 1 |
Br[C:2]1[CH:23]=[CH:22][C:5]2[C:6]3[N:10]([CH2:11][CH2:12][O:13][C:4]=2[CH:3]=1)[CH:9]=[C:8]([C:14]1[N:15]([CH:19]([CH3:21])[CH3:20])[N:16]=[CH:17][N:18]=1)[N:7]=3.[CH3:24][C:25]([OH:42])([CH3:41])[CH2:26][N:27]1[CH:31]=[C:30](B2OC(C)(C)C(C)(C)O2)[CH:29]=[N:28]1.C(=O)([O-])[O-].[Cs+].[Cs+].ClCCl>O1CCOCC1.O.C1C=CC(P(C2C... | 1 |
[N+:1]([C:4]1[CH:9]=[CH:8][C:7]([CH2:10][CH2:11][N:12]2[CH2:17][CH2:16][NH:15][CH2:14][C:13]2=[O:18])=[CH:6][CH:5]=1)([O-:3])=[O:2].[CH3:19][C:20]1[CH:25]=[C:24]([N+:26]([O-:28])=[O:27])[CH:23]=[CH:22][C:21]=1[CH2:29][CH:30]=O>>[CH3:19][C:20]1[CH:25]=[C:24]([N+:26]([O-:28])=[O:27])[CH:23]=[CH:22][C:21]=1[CH2:29][CH2:30... | 1 |
O1C(C1)CN1N=C(C=2CN(CCC21)C(C)=O)C2=CC=C(C=C2)C(F)(F)F.C(C)(C)(C)OC(=O)N1CCN(CC1)C1=NOC2=C1C=CC=C2>C(=O)(C(F)(F)F)O>O1N=C(C2=C1C=CC=C2)N2CCN(CC2)CC(CN2N=C(C=1CN(CCC12)C(C)=O)C1=CC=C(C=C1)C(F)(F)F)O | 3 |
ClC1=CC=C(C=C1)C=1C(=NC=CN1)C(CC1=CC(=CC(=C1)F)F)NS(=O)C(C)(C)C>CO[H].Cl.O1CCOCC1>ClC1=CC=C(C=C1)C=1C(=NC=CN1)C(CC1=CC(=CC(=C1)F)F)N | 3 |
FC(CCN)(F)F.C(#N)C=1C=NN2C1C(=CC(=C2)C=2C=NN(C2)C)C=2C=CC(=NC2)N2CCC(CC2)(C(=O)O)C>O.C(C)(C)N(C(C)C)CC.CN(C(C)=O)C.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>C(#N)C=1C=NN2C1C(=CC(=C2)C=2C=NN(C2)C)C=2C=CC(=NC2)N2CCC(CC2)(C(=O)NCCC(F)(F)F)C | 3 |
[NH2:1][C:2]1[CH:3]=[C:4]([OH:12])[C:5](=[CH:10][CH:11]=1)[C:6]([O:8][CH3:9])=[O:7].[CH3:13][C:14]1[O:15][C:16]([C:23]([F:26])([F:25])[F:24])=[CH:17][C:18]=1[S:19](Cl)(=[O:21])=[O:20]>>[OH:12][C:4]1[CH:3]=[C:2]([NH:1][S:19]([C:18]2[CH:17]=[C:16]([C:23]([F:26])([F:24])[F:25])[O:15][C:14]=2[CH3:13])(=[O:21])=[O:20])[CH:1... | 2 |
CS(=O)(=O)CCC(=O)O.S(=O)(=O)(O)C1=CC=C(C)C=C1.S(=O)(=O)(O)C1=CC=C(C)C=C1.C(C1=CC=CC=C1)N1C[C@H]([C@@H](C1)F)N>CC#N.C(=O)(C=1NC=CN1)C=1NC=CN1>C(C1=CC=CC=C1)N1C[C@H]([C@@H](C1)F)NC(CCS(=O)(=O)C)=O | 3 |
[NH2:1][C@H:2]1[CH2:7][CH2:6][C@H:5]([OH:8])[CH2:4][CH2:3]1.C([O-])([O-])=O.[Cs+].[Cs+].Cl[CH2:16][CH2:17][C:18]1[CH:23]=[CH:22][C:21]([O:24][CH3:25])=[CH:20][CH:19]=1>CN(C=O)C>[CH3:25][O:24][C:21]1[CH:22]=[CH:23][C:18]([CH2:17][CH2:16][NH:1][C@H:2]2[CH2:7][CH2:6][C@H:5]([OH:8])[CH2:4][CH2:3]2)=[CH:19][CH:20]=1 | 1 |
[F:1][C:2]1[CH:3]=[C:4]([N:9]2[C:13]([CH3:15])([CH3:14])[C:12](=[O:16])[N:11]([C:17]3[CH:24]=[CH:23][C:20]([C:21]#[N:22])=[C:19]([C:25]([F:28])([F:27])[F:26])[CH:18]=3)[C:10]2=[S:29])[CH:5]=[CH:6][C:7]=1[OH:8].O[CH2:31][C:32]1([C:35]#[N:36])[CH2:34][CH2:33]1.N(C(N1CCCCC1)=O)=NC(N1CCCCC1)=O.C(P(CCCC)CCCC)CCC>CC1C=CC=CC=... | 2 |
[N:1]1[CH:6]=[CH:5][CH:4]=[CH:3][C:2]=1[O:7][CH2:8][C:9]1[CH:14]=[CH:13][C:12]([NH:15]N)=[CH:11][CH:10]=1.[CH2:17]([O:19][C:20](=[O:30])[CH2:21][C:22](=O)[CH2:23][S:24][C:25]([CH3:28])([CH3:27])[CH3:26])[CH3:18].Cl.C([O-])(O)=O.[Na+]>CC(O)(C)C>[CH2:17]([O:19][C:20](=[O:30])[CH2:21][C:22]1[NH:15][C:12]2[C:13]([C:23]=1[S... | 2 |
FC(F)(F)C(O)=O.CC(C)(OC([N:14]1[CH2:19][CH2:18][N:17]([C:20]2[C:25]([NH:26][CH:27]([CH3:29])[CH3:28])=[CH:24][N:23]=[CH:22][N:21]=2)[CH2:16][CH2:15]1)=O)C>ClCCl.[OH-].[Na+]>[CH3:29][CH:27]([NH:26][C:25]1[C:20]([N:17]2[CH2:16][CH2:15][NH:14][CH2:19][CH2:18]2)=[N:21][CH:22]=[N:23][CH:24]=1)[CH3:28] | 1 |
C(C)(C)(C)OC(=O)N1CCC(CC1)=O.NCCC=1C(=NC=CC1)N>C(C)(=O)O.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+].ClCCCl>C(C)(C)(C)OC(=O)N1CCC(CC1)NCCC=1C(=NC=CC1)N | 3 |
C(C1=CC=CC=C1)N1C=CC2=C1C(N(C(=C2C2=CC=C(C=C2)Cl)C(=O)OC)C)=O>C1(=CC=CC=C1)C.[BH4-].[Li+]>C(C1=CC=CC=C1)N1C=CC2=C1C(N(C(=C2C2=CC=C(C=C2)Cl)CO)C)=O | 3 |
[CH3:1][C:2]1([CH3:16])[C:11]2[C:6](=[CH:7][C:8]([CH3:12])=[CH:9][CH:10]=2)[C:5]([CH3:14])([CH3:13])[CH2:4][CH:3]1[CH3:15].[C:17](Cl)(=[O:19])[CH3:18].[Cl-].[Al+3].[Cl-].[Cl-].Cl>ClC(Cl)C>[C:17]([C:9]1[CH:10]=[C:11]2[C:6]([C:5]([CH3:14])([CH3:13])[CH2:4][CH:3]([CH3:15])[C:2]2([CH3:16])[CH3:1])=[CH:7][C:8]=1[CH3:12])(=[... | 1 |
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