smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
[N+](=O)([O-])C1=C(N)C(=CC=C1)C1=NC=CC=C1>C(C)(=O)OCC.[Pd]>N1=C(C=CC=C1)C1=C(C(=CC=C1)N)N | 3 |
F[B-](F)(F)F.C[N+](=C(O)N(C)C)C.C1(=CC=CC=C1)C(N)=NO.ClC=1C(=C(C=CC1C#N)N[C@@H](C(=O)O)[C@@H](C)O)C>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.OC1=CC=CC=2NN=NC21>ClC1=C(C#N)C=CC(=C1C)N[C@H]([C@@H](C)O)C1=NC(=NO1)C1=CC=CC=C1 | 3 |
ClCC(=O)NCC1=C(C=CC(=C1)[N+](=O)[O-])O>O.CCO[H].Cl.C(O)([O-])=O.[Na+]>NCC1=C(C=CC(=C1)[N+](=O)[O-])O | 3 |
[Br:1][C:2]1[CH:3]=[C:4]([CH:6]=[CH:7][CH:8]=1)[NH2:5].C(N(CC)CC)C.[C:16](Cl)(=[O:19])[CH2:17][CH3:18].O>C1COCC1.C(OCC)(=O)C>[Br:1][C:2]1[CH:3]=[C:4]([NH:5][C:16](=[O:19])[CH2:17][CH3:18])[CH:6]=[CH:7][CH:8]=1 | 1 |
[CH3:1][S:2]([C:5]([C:8]1[CH:9]=[C:10]2[C:15](=[C:16]([C:18]3[CH:19]=[C:20]([C:24]4[CH:29]=[CH:28][CH:27]=[C:26]([CH:30]=[CH:31][C:32]([OH:34])=[O:33])[CH:25]=4)[CH:21]=[CH:22][CH:23]=3)[CH:17]=1)[N:14]=[CH:13][CH:12]=[CH:11]2)([CH3:7])[CH3:6])(=[O:4])=[O:3].[C:35]([O-])(O)=O.[Na+]>>[CH3:35][O:33][C:32](=[O:34])[CH2:31][CH2:30][C:26]1[CH:25]=[C:24]([C:20]2[CH:21]=[CH:22][CH:23]=[C:18]([C:16]3[CH:17]=[C:8]([C:5]([S:2]([CH3:1])(=[O:4])=[O:3])([CH3:7])[CH3:6])[CH:9]=[C:10]4[C:15]=3[N:14]=[CH:13][CH:12]=[CH:11]4)[CH:19]=2)[CH:29]=[CH:28][CH:27]=1 | 1 |
Cl.NC=1C2=C(NC3=C(N1)C=CC(=C3)F)SC3=C2C=CC=C3.C(CC1=CC=CC=C1)[C@@H]1NCCNC1>C1(=CC=CC=C1)C.ClCCl.CS(=O)C.C(C)(C)N(C(C)C)CC>FC=1C=CC2=C(NC=3SC4=C(C3C(=N2)N2C[C@@H](NCC2)CCC2=CC=CC=C2)C=CC=C4)C1 | 3 |
[CH2:1](O)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10]/[CH:11]=[CH:12]\[CH2:13][CH3:14].[O:16]1[CH2:20][C:19](=[O:21])[NH:18][C:17]1=[O:22].C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.N(C(OCC)=O)=NC(OCC)=O>O1CCCC1.C1(C)C=CC=CC=1>[CH2:1]([N:18]1[C:19](=[O:21])[CH2:20][O:16][C:17]1=[O:22])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10]/[CH:11]=[CH:12]\[CH2:13][CH3:14] | 1 |
Br[C:2]1[N:6]2[CH2:7][CH2:8][N:9]([CH3:12])[C:10](=[O:11])[C:5]2=[C:4]([O:13][CH3:14])[C:3]=1[C:15]([O:17][CH2:18][CH3:19])=[O:16].[Li]CCCC.CCCCCC.[N:31]1[CH:36]=[CH:35][N:34]=[CH:33][C:32]=1[C:37](OC)=[O:38].Cl>C1COCC1>[CH3:14][O:13][C:4]1[C:3]([C:15]([O:17][CH2:18][CH3:19])=[O:16])=[C:2]([C:37]([C:32]2[CH:33]=[N:34][CH:35]=[CH:36][N:31]=2)=[O:38])[N:6]2[CH2:7][CH2:8][N:9]([CH3:12])[C:10](=[O:11])[C:5]=12 | 1 |
[Cl:1][C:2]([Cl:18])([Cl:17])[CH:3](O)[CH:4]([N:11]1[CH:15]=[N:14][CH:13]=[N:12]1)[C:5](=[O:10])[C:6]([CH3:9])([CH3:8])[CH3:7].S(Cl)([Cl:21])=O>>[Cl:1][C:2]([Cl:18])([Cl:17])[CH:3]([Cl:21])[CH:4]([N:11]1[CH:15]=[N:14][CH:13]=[N:12]1)[C:5](=[O:10])[C:6]([CH3:9])([CH3:8])[CH3:7] | 1 |
CC1=C(C=2C(=NC=CC2)N1CC1=CC=C(C=C1)\C=C\CO[C@@H](C(=O)N1CCOCC1)C)C(=O)C1=CC=C(C=C1)C>C1CCCO1.CO[H].[OH-].[Li+]>CC1=C(C=2C(=NC=CC2)N1CC1=CC=C(C=C1)/C=C/CO[C@@H](C(=O)O)C)C(C1=CC=C(C=C1)C)=O | 3 |
[CH3:1][O:2][C:3]([C:5]1[CH:13]2[C:8](N3CCOCC3)([C:9](=[O:21])[N:10]([C:14]3[CH:19]=[CH:18][C:17]([I:20])=[CH:16][CH:15]=3)[CH2:11][CH2:12]2)[N:7]([C:28]2[CH:33]=[CH:32][C:31]([Cl:34])=[CH:30][CH:29]=2)[N:6]=1)=[O:4].FC(F)(F)C(O)=O>C(Cl)Cl>[CH3:1][O:2][C:3]([C:5]1[C:13]2[CH2:12][CH2:11][N:10]([C:14]3[CH:15]=[CH:16][C:17]([I:20])=[CH:18][CH:19]=3)[C:9](=[O:21])[C:8]=2[N:7]([C:28]2[CH:33]=[CH:32][C:31]([Cl:34])=[CH:30][CH:29]=2)[N:6]=1)=[O:4] | 1 |
C(C)(C)(C)OC(=O)N1C(=CC2=CC(=CC=C12)CO)C1=NNC2=CC=C(C=C12)C(=O)OC>ClCCl.[O-2].[O-2].[Mn+4]>C(C)(C)(C)OC(=O)N1C(=CC2=CC(=CC=C12)C=O)C1=NNC2=CC=C(C=C12)C(=O)OC | 3 |
[Cl:1][CH2:2][C:3]([C:5]1[CH:10]=[CH:9][C:8]([CH2:11][CH2:12][NH:13][C:14](=[O:16])[CH3:15])=[CH:7][CH:6]=1)=O.[NH2:17][C:18]([NH2:20])=[S:19]>C(O)C>[ClH:1].[NH2:20][C:18]1[S:19][CH:2]=[C:3]([C:5]2[CH:10]=[CH:9][C:8]([CH2:11][CH2:12][NH:13][C:14](=[O:16])[CH3:15])=[CH:7][CH:6]=2)[N:17]=1 | 1 |
[CH:1]1([CH2:4][O:5][C:6]2[CH:11]=[C:10]([F:12])[CH:9]=[CH:8][C:7]=2[C:13]2[CH:18]=[CH:17][N:16]=[C:15]3[C:19]([C:31]([OH:33])=O)=[C:20]([CH3:30])[N:21]([CH2:22][O:23][CH2:24][CH2:25][Si:26]([CH3:29])([CH3:28])[CH3:27])[C:14]=23)[CH2:3][CH2:2]1.[NH2:34][C@@H:35]1[CH2:40][CH2:39][C@H:38]([NH:41][C:42](=[O:48])[O:43][C:44]([CH3:47])([CH3:46])[CH3:45])[CH2:37][CH2:36]1>>[CH:1]1([CH2:4][O:5][C:6]2[CH:11]=[C:10]([F:12])[CH:9]=[CH:8][C:7]=2[C:13]2[CH:18]=[CH:17][N:16]=[C:15]3[C:19]([C:31]([NH:34][C@@H:35]4[CH2:40][CH2:39][C@H:38]([NH:41][C:42](=[O:48])[O:43][C:44]([CH3:46])([CH3:45])[CH3:47])[CH2:37][CH2:36]4)=[O:33])=[C:20]([CH3:30])[N:21]([CH2:22][O:23][CH2:24][CH2:25][Si:26]([CH3:27])([CH3:28])[CH3:29])[C:14]=23)[CH2:3][CH2:2]1 | 1 |
OC1=CC=C(C=C1)SC1=C(C=C(C=C1)NC(C1=CC(=CC=C1)C(F)(F)F)=O)[N+](=O)[O-]>>NC=1C=C(C=CC1SC1=CC=C(C=C1)O)NC(C1=CC(=CC=C1)C(F)(F)F)=O | 5 |
CI.COC=1C=C2C=CNC2=CC1>C1CCCO1.Cl.[H-].[Na+]>COC=1C=C2C=CN(C2=CC1)C | 3 |
[C:1]([N:3]=[C:4]([NH:7][C@@H:8]([CH2:19][CH:20]1[CH2:25][CH2:24][CH2:23][CH2:22][CH2:21]1)[CH2:9][N:10]([CH3:18])[C:11](=[O:17])[O:12][C:13]([CH3:16])([CH3:15])[CH3:14])SC)#[N:2].[Cl:26][C:27]1[CH:28]=[C:29]([C@@H:33]([C@@H:42]2[CH2:47][CH2:46][CH2:45][NH:44][CH2:43]2)[O:34][CH2:35][CH2:36][NH:37][C:38](=[O:41])[O:39][CH3:40])[CH:30]=[CH:31][CH:32]=1>CN(C=O)C.CCN(CC)CC.C(OCC)(=O)C>[Cl:26][C:27]1[CH:28]=[C:29]([C@@H:33]([C@@H:42]2[CH2:47][CH2:46][CH2:45][N:44]([C:4](=[N:3][C:1]#[N:2])[NH:7][C@H:8]([CH2:9][N:10]([CH3:18])[C:11]([O:12][C:13]([CH3:16])([CH3:15])[CH3:14])=[O:17])[CH2:19][CH:20]3[CH2:25][CH2:24][CH2:23][CH2:22][CH2:21]3)[CH2:43]2)[O:34][CH2:35][CH2:36][NH:37][C:38](=[O:41])[O:39][CH3:40])[CH:30]=[CH:31][CH:32]=1 | 1 |
C(C)C=1N(C(C(=C(N1)CCC)CC1=CC=C(C=C1)C=1C(=CC=CC1)C#N)=O)C=1C=NC(=CC1)OC(C)C>[N+](O[H])([H])([H])[H].[Cl-].CS(=O)C.C(O)([O-])=O.[Na+]>C(C)C1=NC(=C(C(N1C=1C=NC(=CC1)OC(C)C)=O)CC1=CC=C(C=C1)C1=C(C=CC=C1)C1=NOC(N1)=O)CCC | 3 |
FC1=C(N)C=CC=C1.FC1=C(C(=O)O)C=C(C(=C1)F)F>>FC1=C(NC2=C(C(=O)O)C=C(C(=C2)F)F)C=CC=C1 | 5 |
[Cl:1][C:2]1[CH:3]=[C:4]([N:9]2[C:13]([C:14]3[CH:19]=[CH:18][C:17]([F:20])=[C:16]([Cl:21])[CH:15]=3)=[CH:12][C:11]([C:22]([O:24]CC)=[O:23])=[N:10]2)[CH:5]=[CH:6][C:7]=1[F:8].ClC1C=C(N2C(C3C=C(F)C=C(Cl)C=3)=CC(C(O)=O)=N2)C=CC=1F>>[Cl:1][C:2]1[CH:3]=[C:4]([N:9]2[C:13]([C:14]3[CH:19]=[CH:18][C:17]([F:20])=[C:16]([Cl:21])[CH:15]=3)=[CH:12][C:11]([C:22]([OH:24])=[O:23])=[N:10]2)[CH:5]=[CH:6][C:7]=1[F:8] | 1 |
C(C)OC(\C(=C\[C@H](COCC1=CC=C(C=C1)OC)C)\C)=O>C(C)OCC.CC(C)C[AlH]CC(C)C>COC1=CC=C(C=C1)COC[C@@H](/C=C(/CO)\C)C | 3 |
[CH2:1]([N:8]1[CH2:17][CH2:16][C:15]2[C:14]([C:18]3[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=3)=[N:13][C:12](Cl)=[N:11][C:10]=2[CH2:9]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[NH2:25][C:26]1[CH:42]=[CH:41][C:29]([C:30]([NH:32][C:33]2[C:38]([CH3:39])=[CH:37][CH:36]=[CH:35][C:34]=2[CH3:40])=[O:31])=[CH:28][CH:27]=1.C(P(C(C)(C)C)C1C=CC=CC=1)(C)(C)C.C(=O)([O-])[O-].[Cs+].[Cs+]>C(OCC)(=O)C.C(O[Pd]OC(=O)C)(=O)C.C1(C)C=CC=CC=1>[CH3:39][C:38]1[CH:37]=[CH:36][CH:35]=[C:34]([CH3:40])[C:33]=1[NH:32][C:30](=[O:31])[C:29]1[CH:28]=[CH:27][C:26]([NH:25][C:12]2[N:13]=[C:14]([C:18]3[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=3)[C:15]3[CH2:16][CH2:17][N:8]([CH2:1][C:2]4[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=4)[CH2:9][C:10]=3[N:11]=2)=[CH:42][CH:41]=1 | 1 |
[Cl:1][C:2]1[C:11]2[C:6](=[CH:7][CH:8]=[C:9]([O:12][CH3:13])[CH:10]=2)[N:5]=[C:4](N(C)C=O)[CH:3]=1.[CH2:18]([OH:20])C.[CH3:21][NH2:22]>>[Cl:1][C:2]1[C:11]2[C:6](=[CH:7][CH:8]=[C:9]([O:12][CH3:13])[CH:10]=2)[N:5]=[C:4]([C:18]([NH:22][CH3:21])=[O:20])[CH:3]=1 | 1 |
ClC1C=C([C@H](CCN2CCC(N(C(=O)C(F)(F)F)CCNC(=O)C(F)(F)F)CC2)[CH2:10][N:11](C)[C:12](=[O:19])[C:13]2[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=2)C=CC=1Cl.FC(F)(F)C(N(CCNC(=O)C(F)(F)F)C1CCNCC1)=O.ClC1C=C(C(CC=O)CN(C)C(=O)C2C=CC=CC=2)C=CC=1Cl>>[CH3:10][NH:11][C:12](=[O:19])[C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1 | 1 |
[Br:1][C:2]1[CH:14]=[CH:13][C:5]([C:6]([N:8]=[CH:9][N:10](C)C)=[O:7])=[C:4]([CH3:15])[CH:3]=1.Cl.[CH3:17][O:18]N>O1CCOCC1.O.C(OCC)(=O)C>[Br:1][C:2]1[CH:14]=[CH:13][C:5]([C:6]([NH:8][CH:9]=[N:10][O:18][CH3:17])=[O:7])=[C:4]([CH3:15])[CH:3]=1 | 1 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([OH:8])=[CH:4][CH:3]=1.Cl[C:10]1[CH:15]=[C:14]([CH3:16])[N:13]=[C:12]([NH:17][C:18]2[CH:23]=[CH:22][C:21]([N:24]3[CH:28]=[C:27]([CH3:29])[N:26]=[CH:25]3)=[C:20]([O:30][CH3:31])[CH:19]=2)[N:11]=1>>[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([O:8][C:10]2[CH:15]=[C:14]([CH3:16])[N:13]=[C:12]([NH:17][C:18]3[CH:23]=[CH:22][C:21]([N:24]4[CH:28]=[C:27]([CH3:29])[N:26]=[CH:25]4)=[C:20]([O:30][CH3:31])[CH:19]=3)[N:11]=2)=[CH:4][CH:3]=1 | 1 |
[CH3:1][N:2]([CH3:24])[C:3]1[CH:23]=[CH:22][C:6]([CH:7]=[N:8][N:9]2[CH:13]=[CH:12][N:11]=[C:10]2[C:14]2[CH:19]=[CH:18][C:17]([O:20][CH3:21])=[CH:16][CH:15]=2)=[CH:5][CH:4]=1.[Br:25][CH2:26][C:27](=[O:32])[C:28]([CH3:31])([CH3:30])[CH3:29]>C(#N)C>[Br-:25].[CH3:24][N:2]([CH3:1])[C:3]1[CH:4]=[CH:5][C:6]([CH:7]=[N:8][N+:9]2[CH:13]=[CH:12][N:11]([CH2:26][C:27](=[O:32])[C:28]([CH3:31])([CH3:30])[CH3:29])[C:10]=2[C:14]2[CH:19]=[CH:18][C:17]([O:20][CH3:21])=[CH:16][CH:15]=2)=[CH:22][CH:23]=1 | 1 |
ClC1=C(C=C(C=C1)C1=NC(=NC(=C1)C)N1C=NC(=C1)I)C>C1CCCO1.C(CCC)[Sn](CCCC)(CCCC)Cl.C(C)(C)[Mg]Cl.[Cl-].[Li+]>ClC1=C(C=C(C=C1)C1=NC(=NC(=C1)C)N1C=NC(=C1)[Sn](CCCC)(CCCC)CCCC)C | 3 |
ClC1=CC=C2C(C(=CN(C2=C1)CC1=CC=CC=C1)C(=O)O)=O>ClCCl.CN1C(CCC1)=O.C(CN)N>NCCNC=1C=C2C(C(=CN(C2=CC1)CC1=CC=CC=C1)C(=O)O)=O | 3 |
[CH3:1][O:2][C:3]1[CH:11]=[CH:10][CH:9]=[C:8]2[C:4]=1[CH:5]=[CH:6][NH:7]2.[H-].[Na+].I[CH3:15]>C1COCC1>[CH3:1][O:2][C:3]1[CH:11]=[CH:10][CH:9]=[C:8]2[C:4]=1[CH:5]=[CH:6][N:7]2[CH3:15] | 1 |
C(CC(=O)C)(=O)OCC.C(C1=CC=CC=C1)O>C1(=CC=CC=C1)C.c3c(P(c1ccccc1)c2ccccc2)cccc3>C(CC(=O)C)(=O)OCC1=CC=CC=C1 | 3 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]([CH:23]=[CH:24][C:25]=1[O:26][CH3:27])[CH2:6][CH:7]1[C:16]2[C:11](=[CH:12][C:13]([O:21][CH3:22])=[C:14]([O:19][CH3:20])[C:15]=2[O:17][CH3:18])[CH2:10][CH2:9][NH:8]1.Br[CH2:29][C:30](Br)=[O:31].[NH2:33][CH:34]1[C:42]2[C:37](=[CH:38][CH:39]=[CH:40][CH:41]=2)[CH2:36][CH2:35]1>>[CH3:1][O:2][C:3]1[CH:4]=[C:5]([CH:23]=[CH:24][C:25]=1[O:26][CH3:27])[CH2:6][CH:7]1[C:16]2[C:11](=[CH:12][C:13]([O:21][CH3:22])=[C:14]([O:19][CH3:20])[C:15]=2[O:17][CH3:18])[CH2:10][CH2:9][N:8]1[CH2:29][C:30]([NH:33][CH:34]1[C:42]2[C:37](=[CH:38][CH:39]=[CH:40][CH:41]=2)[CH2:36][CH2:35]1)=[O:31] | 1 |
P(Cl)(Cl)([Cl:3])=O.CN([CH:9]=[O:10])C.[CH3:11][C:12](=O)[C:13]([CH3:16])([CH3:15])[CH3:14].N>>[Cl:3][C:12]([C:13]([CH3:16])([CH3:15])[CH3:14])=[CH:11][CH:9]=[O:10] | 1 |
CC(C)(C)OC([C@@H](N)CC1=CC=CC=C1)=O.FC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C(=O)O)CC1=CC=CC=C1>>FC1=CC=C(C=C1)S(=O)(=O)N[C@H](C(=O)O)CC1=CC=CC=C1 | 3 |
C1OCC(N2C1CNCC2)=O>>C1OCCN2C1CNCC2 | 5 |
FC=1C=C2C=CN(C2=C(C1)F)S(=O)(=O)C1=CC=C(C)C=C1>ClCCl.BrN1C(CCC1=O)=O.C(O)([O-])=O.[Na+]>BrC1=CN(C2=C(C=C(C=C12)F)F)S(=O)(=O)C1=CC=C(C)C=C1 | 3 |
[N+](=O)([O-])C1=CC=C(CCl)C=C1.N1C[C@H](CCC1)NC(OC(C)(C)C)=O>O.CS(=O)C>[N+](=O)([O-])C1=CC=C(CN2C[C@H](CCC2)NC(OC(C)(C)C)=O)C=C1 | 3 |
ON=C(C)Cl.C(C=C)N1C(=NC=2C(=NC=3C=CC=CC3C21)Cl)COCC>ClCCl.CCN(CC)CC>ClC1=NC=2C=CC=CC2C2=C1N=C(N2CC2CC(=NO2)C)COCC | 3 |
Cl.CN(C)CCCN=C=NCC.[C:13]([O:17][C:18]([N:20]1[CH2:24][CH2:23][CH:22]([O:25][C:26]2[CH:27]=[C:28]([CH:32]=[CH:33][CH:34]=2)[C:29]([OH:31])=O)[CH2:21]1)=[O:19])([CH3:16])([CH3:15])[CH3:14].[NH2:35][C:36]1[CH:37]=[C:38]([CH:54]=[CH:55][C:56]=1[CH3:57])[C:39]([NH:41][C:42]1[CH:47]=[CH:46][CH:45]=[C:44]([N:48]2[CH2:53][CH2:52][O:51][CH2:50][CH2:49]2)[CH:43]=1)=[O:40].ON1C2C=CC=CC=2N=N1>CN(C=O)C>[C:13]([O:17][C:18]([N:20]1[CH2:24][CH2:23][CH:22]([O:25][C:26]2[CH:27]=[C:28]([CH:32]=[CH:33][CH:34]=2)[C:29]([NH:35][C:36]2[CH:37]=[C:38]([CH:54]=[CH:55][C:56]=2[CH3:57])[C:39]([NH:41][C:42]2[CH:47]=[CH:46][CH:45]=[C:44]([N:48]3[CH2:49][CH2:50][O:51][CH2:52][CH2:53]3)[CH:43]=2)=[O:40])=[O:31])[CH2:21]1)=[O:19])([CH3:14])([CH3:15])[CH3:16] | 1 |
[C:1]([O:9][CH:10]([C@@H:13]1[CH2:17][C@@H:16]([O:18]C(=O)C)[C@H:15]([N:22]2[C:26]3[N:27]=[C:28]([NH2:32])[NH:29][C:30](=[O:31])[C:25]=3[S:24][C:23]2=[O:33])[O:14]1)[CH2:11][CH3:12])(=[O:8])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.C([O-])([O-])=O.[K+].[K+].CC(O)=O>CO>[C:1]([O:9][CH:10]([C@@H:13]1[CH2:17][C@@H:16]([OH:18])[C@H:15]([N:22]2[C:26]3[N:27]=[C:28]([NH2:32])[NH:29][C:30](=[O:31])[C:25]=3[S:24][C:23]2=[O:33])[O:14]1)[CH2:11][CH3:12])(=[O:8])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 1 |
[NH2:1][C@@H:2]([CH2:5][C:6]1[CH:11]=[CH:10][CH:9]=[CH:8][CH:7]=1)[CH2:3][OH:4].[CH2:12]([O:19][C:20]1[CH:28]=[CH:27][CH:26]=[C:25]2[C:21]=1[CH:22]=[C:23]([C:30](Cl)=[O:31])[N:24]2[CH3:29])[C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1>>[CH2:5]([C@H:2]([NH:1][C:30]([C:23]1[N:24]([CH3:29])[C:25]2[C:21]([CH:22]=1)=[C:20]([O:19][CH2:12][C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1)[CH:28]=[CH:27][CH:26]=2)=[O:31])[CH2:3][OH:4])[C:6]1[CH:11]=[CH:10][CH:9]=[CH:8][CH:7]=1.[CH2:5]([C@H:2]([NH:1][C:30]([C:23]1[N:24]([CH3:29])[C:25]2[C:21]([CH:22]=1)=[C:20]([OH:19])[CH:28]=[CH:27][CH:26]=2)=[O:31])[CH2:3][OH:4])[C:6]1[CH:11]=[CH:10][CH:9]=[CH:8][CH:7]=1 | 1 |
[CH3:1][C:2](=[O:7])[CH2:3][C:4](=[O:6])[CH3:5].B(OB=O)=O.[Br:13][C:14]1[CH:21]=[CH:20][C:19]([OH:22])=[CH:18][C:15]=1[CH:16]=O.C(OC)(OC)OC.C(N)CCC.Cl>C(OCC)(=O)C>[Br:13][C:14]1[CH:21]=[CH:20][C:19]([OH:22])=[CH:18][C:15]=1[CH:16]=[CH:1][C:2](=[O:7])[CH2:3][C:4](=[O:6])[CH3:5] | 1 |
[NH:1]1[CH:5]=[CH:4][N:3]=[CH:2]1.Cl[C:7]1[N:8]=[C:9]([NH:17][CH2:18][C:19]2[CH:24]=[CH:23][C:22]([O:25][CH3:26])=[C:21]([O:27][CH3:28])[CH:20]=2)[C:10]2[CH:15]=[C:14]([Cl:16])[S:13][C:11]=2[N:12]=1>>[N:1]1([C:7]2[N:8]=[C:9]([NH:17][CH2:18][C:19]3[CH:24]=[CH:23][C:22]([O:25][CH3:26])=[C:21]([O:27][CH3:28])[CH:20]=3)[C:10]3[CH:15]=[C:14]([Cl:16])[S:13][C:11]=3[N:12]=2)[CH:5]=[CH:4][N:3]=[CH:2]1 | 1 |
C(C=C)(=O)OC.BrC1=C(C=C(C=C1)[N+](=O)[O-])C>>COC(C=CC1=C(C=C(C=C1)[N+](=O)[O-])C)=O | 5 |
N1(CCNCC1)C1=C2C=CNC2=CC=C1.N1=CC=CC2=CC=CC(=C12)N1CCC(CC1)=O>ClCCl.C(C)(=O)O.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+]>N1C=CC2=C(C=CC=C12)N1CCN(CC1)C1CCN(CC1)C=1C=CC=C2C=CC=NC12 | 3 |
C[O:2][C:3]([C:5]1[C:13]2[O:12][C:11]([C:14]3[CH:19]=[CH:18][C:17]([O:20][CH3:21])=[C:16]([F:22])[CH:15]=3)=[CH:10][C:9]=2[CH:8]=[C:7]([O:23][CH3:24])[CH:6]=1)=O.[Li]>C1COCC1>[F:22][C:16]1[CH:15]=[C:14]([C:11]2[O:12][C:13]3[C:5]([CH2:3][OH:2])=[CH:6][C:7]([O:23][CH3:24])=[CH:8][C:9]=3[CH:10]=2)[CH:19]=[CH:18][C:17]=1[O:20][CH3:21] | 1 |
Cl.[NH2:2][C@@H:3]([CH2:19][CH2:20][CH2:21][NH:22][C:23]([O:25][CH2:26][C:27]1[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=1)=[O:24])[C:4]([NH:6][C:7]1[CH:12]=[CH:11][CH:10]=[CH:9][C:8]=1/[CH:13]=[CH:14]/[C:15]([O:17][CH3:18])=[O:16])=[O:5].[NH:33]1[C:41]2[C:36](=[CH:37][CH:38]=[CH:39][CH:40]=2)[CH:35]=[C:34]1[C:42](O)=[O:43].C1C=CC2N(O)N=NC=2C=1>CN(C=O)C.CCOC(C)=O>[NH:33]1[C:41]2[C:36](=[CH:37][CH:38]=[CH:39][CH:40]=2)[CH:35]=[C:34]1[C:42]([NH:2][C@@H:3]([CH2:19][CH2:20][CH2:21][NH:22][C:23]([O:25][CH2:26][C:27]1[CH:28]=[CH:29][CH:30]=[CH:31][CH:32]=1)=[O:24])[C:4]([NH:6][C:7]1[CH:12]=[CH:11][CH:10]=[CH:9][C:8]=1/[CH:13]=[CH:14]/[C:15]([O:17][CH3:18])=[O:16])=[O:5])=[O:43] | 2 |
BrC1C=C2C(C(CC([N:14]=[C:15]([NH2:30])[NH:16][CH2:17][C:18]3[CH:23]=[C:22]([Cl:24])[C:21]([NH:25][C:26](=[O:28])[CH3:27])=[C:20]([Cl:29])[CH:19]=3)=O)=CN2)=CC=1.[F:31][C:32]1[CH:33]=[CH:34][CH:35]=[C:36]2[C:40]=1[NH:39][C:38]([CH3:41])=[C:37]2[CH2:42][C:43]([OH:45])=O>>[Cl:24][C:22]1[CH:23]=[C:18]([CH2:17][NH:16][C:15]([NH2:30])=[N:14][C:43](=[O:45])[CH2:42][C:37]2[C:36]3[C:40](=[C:32]([F:31])[CH:33]=[CH:34][CH:35]=3)[NH:39][C:38]=2[CH3:41])[CH:19]=[C:20]([Cl:29])[C:21]=1[NH:25][C:26](=[O:28])[CH3:27] | 1 |
C(C1=CC=CC=C1)OC(=O)N1CC=2N=C(N=C(C2CC1)O)SC>C(Cl)(Cl)(Cl)[H].P(=O)(Cl)(Cl)Cl>C(C1=CC=CC=C1)OC(=O)N1CC=2N=C(N=C(C2CC1)Cl)SC | 3 |
C(C)(C)(C)OC(=O)N1CCC(CC1)=O.[Br-].C1(=CC=CC=C1)[P+](CC1=C(C=CC=C1)C(F)(F)F)(C1=CC=CC=C1)C1=CC=CC=C1>>FC(C1=C(C=C2CCN(CC2)C(=O)OC(C)(C)C)C=CC=C1)(F)F | 5 |
[F:1][C:2]1[C:7]([F:8])=[CH:6][C:5]([C:9]2[CH:14]=[CH:13][C:12]([OH:15])=[CH:11][CH:10]=2)=[C:4]([O:16][CH3:17])[CH:3]=1.O[CH2:19][C:20]1[CH:21]=[N:22][CH:23]=[C:24]([CH:29]=1)[C:25]([O:27][CH3:28])=[O:26].C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.N(C(OC(C)C)=O)=NC(OC(C)C)=O>C1COCC1.C(OCC)(=O)C>[CH3:28][O:27][C:25](=[O:26])[C:24]1[CH:29]=[C:20]([CH2:19][O:15][C:12]2[CH:11]=[CH:10][C:9]([C:5]3[CH:6]=[C:7]([F:8])[C:2]([F:1])=[CH:3][C:4]=3[O:16][CH3:17])=[CH:14][CH:13]=2)[CH:21]=[N:22][CH:23]=1 | 2 |
C(C=C)[Mg]Br.BrC=1C=C(C=CC1)C(CC=O)O[Si](C)(C)C(C)(C)C>C(C)OCC.ClCCl>BrC=1C=C(C=CC1)C(CC(CC=C)O)O[Si](C)(C)C(C)(C)C | 3 |
[C:1]([C:4]1[CH:9]=[CH:8][C:7]([B:10]([OH:12])[OH:11])=[CH:6][CH:5]=1)([OH:3])=O.CN(C(ON1N=N[C:23]2[CH:24]=CC=N[C:22]1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.C(N([CH2:42][CH3:43])CC)C.[CH:44]([N:47]1[CH2:52][CH2:51][NH:50][CH2:49][CH2:48]1)([CH3:46])[CH3:45].[CH3:53]COC(C)=O>>[CH:44]([N:47]1[CH2:52][CH2:51][N:50]([C:1]([C:4]2[CH:9]=[CH:8][C:7]([B:10]3[O:12][C:23]([CH3:24])([CH3:22])[C:42]([CH3:43])([CH3:53])[O:11]3)=[CH:6][CH:5]=2)=[O:3])[CH2:49][CH2:48]1)([CH3:46])[CH3:45] | 1 |
[S:1]([N:11]1[C:15]2[N:16]=[CH:17][C:18]3[N:19]([C:20]([C:23]45[CH2:30][CH2:29][C:26]([NH2:31])([CH2:27][CH2:28]4)[CH2:25][CH2:24]5)=[N:21][N:22]=3)[C:14]=2[CH:13]=[CH:12]1)([C:4]1[CH:10]=[CH:9][C:7]([CH3:8])=[CH:6][CH:5]=1)(=[O:3])=[O:2].FC(F)(F)S([O-])(=O)=O.[F:40][C:41]1([F:54])[CH2:44][N:43]([S:45](N2C=C[N+](C)=C2)(=[O:47])=[O:46])[CH2:42]1>CC#N>[F:40][C:41]1([F:54])[CH2:44][N:43]([S:45]([NH:31][C:26]23[CH2:29][CH2:30][C:23]([C:20]4[N:19]5[C:14]6[CH:13]=[CH:12][N:11]([S:1]([C:4]7[CH:10]=[CH:9][C:7]([CH3:8])=[CH:6][CH:5]=7)(=[O:3])=[O:2])[C:15]=6[N:16]=[CH:17][C:18]5=[N:22][N:21]=4)([CH2:28][CH2:27]2)[CH2:24][CH2:25]3)(=[O:47])=[O:46])[CH2:42]1 | 1 |
[OH-].[Na+].C(O)(=O)C(O)=O.[F:9][C:10]1[CH:11]=[C:12]([CH:42]=[CH:43][CH:44]=1)[CH2:13][O:14][C:15]1[CH:41]=[CH:40][C:18]([O:19][CH:20]2[CH2:25][CH2:24][N:23]([C:26]([O:28][C:29]3[CH:30]=[N:31][CH:32]=[C:33]([CH2:35][O:36]C(=O)C)[CH:34]=3)=[O:27])[CH2:22][CH2:21]2)=[CH:17][CH:16]=1.Cl>C1COCC1>[F:9][C:10]1[CH:11]=[C:12]([CH:42]=[CH:43][CH:44]=1)[CH2:13][O:14][C:15]1[CH:16]=[CH:17][C:18]([O:19][CH:20]2[CH2:25][CH2:24][N:23]([C:26]([O:28][CH:29]3[CH2:34][CH:33]([CH2:35][OH:36])[CH2:32][NH:31][CH2:30]3)=[O:27])[CH2:22][CH2:21]2)=[CH:40][CH:41]=1 | 1 |
FC1=C(C(=O)O)C(=CC(=C1)NS(=O)(=O)C1=CC=C(C=C1)N1C=CC=C1)F.CN1C(N(C(C=2N(C=NC12)C)=O)C1=CC=C(C[C@H](N)C(=O)OC(C)C)C=C1)=O>ClCCl.CCN(CC)CC.ON1N=NC2=C1N=CC=C2.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>FC1=C(C(=O)N[C@@H](CC2=CC=C(C=C2)N2C(N(C=3N=CN(C3C2=O)C)C)=O)C(=O)OC(C)C)C(=CC(=C1)NS(=O)(=O)C1=CC=C(C=C1)N1C=CC=C1)F | 3 |
C(C)(C)(C)OC(NC1=CC(=CC(=C1)C(F)(F)F)NC(CC(N[C@H]([C@H](CCC)O)CN(CC1=C(C=C(C=C1)C)C)C(=O)OCC1=CC=CC=C1)=O)=O)=O>>C(C1=CC=CC=C1)OC(N(CC1=C(C=C(C=C1)C)C)C[C@@H]([C@H](CCC)O)NC(CC(NC1=CC(=CC(=C1)C(F)(F)F)N)=O)=O)=O | 5 |
C(#N)CP(OCC)(OCC)=O.BrC=1C=C(SC1)C=O>C1(=CC=CC=C1)C.C1CCCO1>BrC=1C=C(SC1)C=CC#N | 3 |
C(C)(C)(C)O[C@H](C(=O)OC)C=1C(=CC=2N(C1N1CCC(CC1)(C)C)C=C(N2)C(NCC(CC2=CC=C(C=C2)F)=O)=O)C>>C(C)(C)(C)O[C@H](C(=O)O)C=1C(=CC=2N(C1N1CCC(CC1)(C)C)C=C(N2)C=2OC(=CN2)CC2=CC=C(C=C2)F)C | 5 |
CSC=1SC2=C(N1)C=CC=C2>C1(=CC=CC=C1)C.O.Cl[O-].[Na+].N1C(=O)NC(=O)NC1=O>CS(=O)(=O)C=1SC2=C(N1)C=CC=C2 | 3 |
CN1[C@@H](CCC1)CO.C(C1=CC=CC=C1)N1CC=2N=C(N=C(C2CC1)N1CC(N(CC1)C(=O)OC(C)(C)C)CC#N)Cl>C1CCCO1.[H-].[Na+].[Cl-].[NH4+]>C(C1=CC=CC=C1)N1CC=2N=C(N=C(C2CC1)N1CC(N(CC1)C(=O)OC(C)(C)C)CC#N)OC[C@H]1N(CCC1)C | 3 |
C(C1=CC=CC=C1)O[C@]1(C2=NN=C(C=3C(=CC(=C(O[C@@H](CCCC(C1)O)C)N3)C(F)(F)F)NC(OC(C)(C)C)=O)O2)C(F)(F)F>ClCCl.C(C)(=O)OI1(OC(C2=C1C=CC=C2)=O)(OC(C)=O)OC(C)=O.C(O)([O-])=O.[Na+].[O-]S(=O)(=S)[O-].[Na+].[Na+]>C(C1=CC=CC=C1)O[C@]1(C2=NN=C(C=3C(=CC(=C(O[C@@H](CCCC(C1)=O)C)N3)C(F)(F)F)NC(OC(C)(C)C)=O)O2)C(F)(F)F | 3 |
ClC1=C(C=CC=C1)B(O)O.COC(=O)C1=CSC=C1NC(COC1=NC=C(C=C1)Br)=O>O.C1CCCO1.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(=O)([O-])[O-].[Cs+].[Cs+]>COC(=O)C1=CSC=C1NC(COC1=NC=C(C=C1)C1=C(C=CC=C1)Cl)=O | 3 |
OC1=CC=C(C=C1)NCC(=O)O>>COC(CNC1=CC=C(C=C1)O)=O | 5 |
[OH:1][C:2]1[CH:3]=[C:4]([CH:7]=[CH:8][CH:9]=1)[CH2:5][OH:6].Cl[C:11]1[N:16]=[CH:15][C:14]([Br:17])=[CH:13][N:12]=1.C(=O)([O-])[O-].[Cs+].[Cs+]>CS(C)=O>[Br:17][C:14]1[CH:13]=[N:12][C:11]([O:1][C:2]2[CH:3]=[C:4]([CH2:5][OH:6])[CH:7]=[CH:8][CH:9]=2)=[N:16][CH:15]=1 | 1 |
C(C1=CC=CC=C1)N1C(C2C3C=CC(C2C1=O)(O3)COC(=O)NCCCC(=O)OC)=O>Cl.[OH-].[Na+].O1CCOCC1>C(C1=CC=CC=C1)N1C(C2C3C=CC(C2C1=O)(O3)COC(=O)NCCCC(=O)O)=O | 3 |
S.C(C)OC(=O)C1C(CCCC1)=O>CCO[H]>SC1=C(CCCC1)C(=O)OCC | 3 |
CN(CCCN)C.ClC1=CC=C(C=C1)C1=N[C@H](C=2N(C3=C1C=C(C=C3)OC)C(=NN2)C)CC(=O)O>>C(=O)O.ClC1=CC=C(C=C1)C1=N[C@H](C=2N(C3=C1C=C(C=C3)OC)C(=NN2)C)CC(=O)NCCCN(C)C | 5 |
[NH2:1][C:2]1[CH:9]=[CH:8][C:5]([C:6]#[N:7])=[C:4]([CH3:10])[N:3]=1.[ClH:11]>[Pd].CCO.CO>[ClH:11].[NH2:7][CH2:6][C:5]1[CH:8]=[CH:9][C:2]([NH2:1])=[N:3][C:4]=1[CH3:10] | 2 |
[O-:1][N+:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[C:8]1[CH:9]=[CH:10][C:11]2[C:12]3[N:26](C4CCCCO4)[N:25]=[CH:24][C:13]=3[C:14](=[O:23])[N:15]([CH2:18][C:19]([F:22])([F:21])[F:20])[C:16]=2[CH:17]=1.[O-][N+]1C=CC=CC=1C1C=CC2C3NN(C4CCCCO4)CC=3C(=O)N(CC(F)(F)F)C=2C=1.[ClH:65]>O1CCOCC1>[ClH:65].[O-:1][N+:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[C:8]1[CH:9]=[CH:10][C:11]2[C:12]3[NH:26][N:25]=[CH:24][C:13]=3[C:14](=[O:23])[N:15]([CH2:18][C:19]([F:22])([F:20])[F:21])[C:16]=2[CH:17]=1 | 2 |
N1C[C@H](CCC1)NC(OC(C)(C)C)=O.ClC=1C=CC(=NC1F)N1N=CC=2C=NC(=CC21)C=2C=NC=C(C2)CC>CN1C(CCC1)=O.CN1CCOCC1>ClC=1C(=NC(=CC1)N1N=CC=2C=NC(=CC21)C=2C=NC=C(C2)CC)N2C[C@H](CCC2)NC(OC(C)(C)C)=O | 3 |
[CH3:1][C:2]1([CH3:9])[CH2:7][CH2:6][O:5][NH:4][C:3]1=[O:8].[Cl:10][C:11]1[CH:16]=[C:15]([NH:17][C:18]([N:20]([O:22][CH3:23])[CH3:21])=[O:19])[CH:14]=[CH:13][C:12]=1[CH2:24]Br.[Br-].[K+].O1CCOCCOCCOCCOCCOCC1.O1C=CCC(=O)N1>C(#N)C>[Cl:10][C:11]1[CH:16]=[C:15]([NH:17][C:18]([N:20]([O:22][CH3:23])[CH3:21])=[O:19])[CH:14]=[CH:13][C:12]=1[CH2:24][N:4]1[C:3](=[O:8])[C:2]([CH3:9])([CH3:1])[CH2:7][CH2:6][O:5]1 | 1 |
Cl[C:2]1[C:11]2[C:6](=[CH:7][C:8]([O:14][CH2:15][CH2:16][CH2:17][N:18]3[CH2:23][CH2:22][O:21][CH2:20][CH2:19]3)=[C:9]([O:12][CH3:13])[CH:10]=2)[N:5]=[CH:4][CH:3]=1.[CH2:24]([O:31][C:32]1[C:33]([CH3:40])=[CH:34][C:35]([F:39])=[C:36]([OH:38])[CH:37]=1)[C:25]1[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=1.CC(C)([O-])C.[K+]>CS(C)=O>[CH2:24]([O:31][C:32]1[C:33]([CH3:40])=[CH:34][C:35]([F:39])=[C:36]([CH:37]=1)[O:38][C:2]1[C:11]2[C:6](=[CH:7][C:8]([O:14][CH2:15][CH2:16][CH2:17][N:18]3[CH2:23][CH2:22][O:21][CH2:20][CH2:19]3)=[C:9]([O:12][CH3:13])[CH:10]=2)[N:5]=[CH:4][CH:3]=1)[C:25]1[CH:26]=[CH:27][CH:28]=[CH:29][CH:30]=1 | 1 |
O=C(CCOCC(COCCC(=O)OC1=C(C(=C(C(=C1F)F)F)F)F)NC(CCCCCCCCCCC(=O)OCC1=CC=CC=C1)=O)OC1=C(C(=C(C(=C1F)F)F)F)F.C(C)(=O)N[C@@H]1[C@H]([C@H]([C@@]2(CO[C@H]1O2)COCCCCC(=O)NCCCN)O)O>N(C)(C)C=O.ClCCl.C(C)(C)N(C(C)C)CC>C(C)(=O)N[C@@H]1[C@H]([C@H]([C@@]2(CO[C@H]1O2)COCCCCC(NCCCNC(CCOCC(NC(CCCCCCCCCCC(=O)OCC2=CC=CC=C2)=O)COCCC(NCCCNC(CCCCOC[C@@]21[C@@H]([C@@H]([C@H]([C@@H](OC2)O1)NC(C)=O)O)O)=O)=O)=O)=O)O)O | 3 |
P(=O)(OC1=CC=CC=C1)(OC1=CC=CC=C1)Cl.FC(C(=O)NC1=CC=C(C=C1)C)(F)F>>CC1=CC=C(C=C1)N=C(C(F)(F)F)Cl | 5 |
ClC1=C(C=C(C=C1)C(F)(F)F)NC=C(C(=O)OCC)C(=O)OCC>>ClC=1C=CC(=C2C(C(=CNC12)C(=O)O)=O)C(F)(F)F | 5 |
[O:1]=[C:2]([CH2:13][CH2:14][CH3:15])[CH2:3][C:4]([NH:6][C:7]1[CH:12]=[CH:11][CH:10]=[CH:9][CH:8]=1)=[O:5].CN(C)N>C1(C)C=CC=CC=1>[CH3:15][C:14]1[O:1][C:2]([CH2:13][CH2:14][CH3:15])=[C:3]([C:4]([NH:6][C:7]2[CH:12]=[CH:11][CH:10]=[CH:9][CH:8]=2)=[O:5])[C:2](=[O:1])[CH:13]=1 | 1 |
[N:1]1[CH:6]=[CH:5][CH:4]=[N:3][C:2]=1C(O)=O.CCN(C(C)C)C(C)C.N1C=CC=CC=1[C:25]([NH:27][NH2:28])=O.CN(C(ON1N=NC2C=CC=CC1=2)=[N+](C)C)C.[B-](F)(F)(F)F.COC1C=CC(P2(SP(C3C=CC(OC)=CC=3)(=S)S2)=S)=CC=1.[S:73]1[CH:77]=CN=N1>CN(C=O)C.C(OC(=O)C)C.C(Cl)Cl>[N:1]1[CH:6]=[CH:5][C:4]([C:77]2[S:73][CH:25]=[N:27][N:28]=2)=[N:3][CH:2]=1 | 2 |
CC1(OB(OC1(C)C)C=1C=NNC1)C.C1(CC1)S(=O)(=O)Cl>N(C)(C)C=O.[H-].[Na+].[Cl-].[NH4+]>C1(CC1)S(=O)(=O)N1N=CC(=C1)B1OC(C(O1)(C)C)(C)C | 3 |
[CH3:1][C:2]([C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][N:14]=1)([CH2:9][N+:10]([O-])=O)[CH2:3][C:4](OCC)=O.C1(C)C=CC=CC=1.C([OH:28])C>[Ni]>[CH3:1][C:2]1([C:13]2[CH:18]=[CH:17][CH:16]=[CH:15][N:14]=2)[C:3](=[O:28])[CH2:4][NH:10][CH2:9]1 | 1 |
Br[C:2]1[CH:3]=[CH:4][C:5]2[CH:9]=[C:8]([C:10]([O:12][CH3:13])=[O:11])[S:7][C:6]=2[CH:14]=1.[F:15][C:16]([F:27])([F:26])[C:17]1[CH:22]=[CH:21][C:20](B(O)O)=[CH:19][N:18]=1.[Cl-].[Li+].C(=O)([O-])[O-].[Na+].[Na+]>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)=CC=1.O.O1CCOCC1>[F:15][C:16]([F:27])([F:26])[C:17]1[N:18]=[CH:19][C:20]([C:2]2[CH:3]=[CH:4][C:5]3[CH:9]=[C:8]([C:10]([O:12][CH3:13])=[O:11])[S:7][C:6]=3[CH:14]=2)=[CH:21][CH:22]=1 | 2 |
C(C)N1C(NC2=C(C1=O)C=C(S2)CO)=O>N(C)(C)C=O.ClCCl.ClS(Cl)=O>ClCC1=CC2=C(NC(N(C2=O)CC)=O)S1 | 3 |
NC1=NC=CC=C1.BrC(C(=O)C=1C=CC2=C(NC(CO2)=O)C1)C1=CC=CC=C1>CC#N.O.C1(=CC=C(C=C1)S(=O)(=O)O)C>C1(=CC=CC=C1)C=1N=C2N(C=CC=C2)C1C1=CC2=C(OCC(N2)=O)C=C1 | 3 |
[Br:1][C:2]1[C:3]([C:7]([NH:9][CH3:10])=[O:8])=[N:4][NH:5][CH:6]=1.C(=O)([O-])[O-].[K+].[K+].CS(O[CH:22]1[CH2:27][CH2:26][N:25]([C:28]([O:30][C:31]([CH3:34])([CH3:33])[CH3:32])=[O:29])[CH2:24][CH2:23]1)(=O)=O>C(#N)C>[Br:1][C:2]1[C:3]([C:7](=[O:8])[NH:9][CH3:10])=[N:4][N:5]([CH:22]2[CH2:27][CH2:26][N:25]([C:28]([O:30][C:31]([CH3:34])([CH3:33])[CH3:32])=[O:29])[CH2:24][CH2:23]2)[CH:6]=1 | 1 |
CCN(C(C)C)C(C)C.[NH2:10][C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][C:12]=1[NH:17][C:18](=[O:24])[O:19][C:20]([CH3:23])([CH3:22])[CH3:21].[CH2:25]([O:27][P:28]([CH2:33][C:34](O)=[O:35])([O:30][CH2:31][CH3:32])=[O:29])[CH3:26].CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F>C(Cl)Cl>[CH2:31]([O:30][P:28]([CH2:33][C:34]([NH:10][C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][C:12]=1[NH:17][C:18](=[O:24])[O:19][C:20]([CH3:21])([CH3:23])[CH3:22])=[O:35])([O:27][CH2:25][CH3:26])=[O:29])[CH3:32] | 1 |
[C:1]([C:5]1[CH:13]=[CH:12][C:8]([C:9]([NH2:11])=[O:10])=[C:7]([Cl:14])[N:6]=1)([CH3:4])([CH3:3])[CH3:2].[N+:15]([C:18]1[CH:19]=[C:20]([S:24](Cl)(=[O:26])=[O:25])[CH:21]=[CH:22][CH:23]=1)([O-:17])=[O:16].[H-].[Na+]>C1COCC1>[C:1]([C:5]1[CH:13]=[CH:12][C:8]([C:9]([NH:11][S:24]([C:20]2[CH:21]=[CH:22][CH:23]=[C:18]([N+:15]([O-:17])=[O:16])[CH:19]=2)(=[O:25])=[O:26])=[O:10])=[C:7]([Cl:14])[N:6]=1)([CH3:4])([CH3:2])[CH3:3] | 2 |
Cl[CH2:2][C:3]1[O:7][C:6]([C:8]2[N:9]=[CH:10][N:11]3[C:17]4[CH:18]=[CH:19][CH:20]=[CH:21][C:16]=4[C:15](=[O:22])[N:14]([CH3:23])[CH2:13][C:12]=23)=[N:5][N:4]=1.[CH2:24]([NH:26][CH2:27][CH3:28])[CH3:25]>CN(C)C=O>[CH2:24]([N:26]([CH2:2][C:3]1[O:7][C:6]([C:8]2[N:9]=[CH:10][N:11]3[C:17]4[CH:18]=[CH:19][CH:20]=[CH:21][C:16]=4[C:15](=[O:22])[N:14]([CH3:23])[CH2:13][C:12]=23)=[N:5][N:4]=1)[CH2:27][CH3:28])[CH3:25] | 1 |
C(#N)C[C@H]1CN(CCN1)C1=CC(=NC(=N1)OC[C@H]1N(CCC1)C(C)C)C(=O)NC1=CC(=CC2=CC=CC=C12)OC>CO[H].ClCCl.B(Br)(Br)Br>C(#N)C[C@H]1CN(CCN1)C1=CC(=NC(=N1)OC[C@H]1N(CCC1)C(C)C)C(=O)NC1=CC(=CC2=CC=CC=C12)O | 3 |
CC(C#CC(=O)C1=CC=C(C#N)C=C1)(C)O[Si](C)(C)C>>OC(C#CC(=O)C1=CC=C(C#N)C=C1)(C)C | 5 |
[Si](C)(C)(C(C)(C)C)O[C@@H]1C[C@H](N2C(/C(/CC[C@@H]2C1)=C/C1=CC(=C(C=C1)N1C=NC(=C1)C)OC)=O)C1=CC(=C(C(=C1)F)F)F>C1CCCO1.[F-].C(CCC)[N+](CCCC)(CCCC)CCCC>FC=1C=C(C=C(C1F)F)[C@H]1N2C(/C(/CC[C@@H]2C[C@@H](C1)O)=C/C1=CC(=C(C=C1)N1C=NC(=C1)C)OC)=O | 3 |
Cl.[C:2]([C:5]1[CH:10]=[CH:9][CH:8]=[CH:7][C:6]=1[NH:11][C:12]([C@H:14]1[CH2:19][CH2:18][C@H:17]([CH2:20][NH:21][C:22]([NH2:24])=[NH:23])[CH2:16][CH2:15]1)=[O:13])([OH:4])=[O:3].[OH-].[Na+]>CO.O>[C:2]([C:5]1[CH:10]=[CH:9][CH:8]=[CH:7][C:6]=1[NH:11][C:12]([C@H:14]1[CH2:15][CH2:16][C@H:17]([CH2:20][NH:21][C:22]([NH2:24])=[NH:23])[CH2:18][CH2:19]1)=[O:13])([OH:4])=[O:3] | 1 |
ClCC#N.BrC1=C(N)C=C(C=C1)OC>>COC1=C2C=CNC2=C(C=C1)Br | 5 |
[CH2:1]([C:4]1[CH:9]=[C:8]([F:10])[CH:7]=[CH:6][C:5]=1[OH:11])[CH:2]=[CH2:3].C1C=C(Cl)C=C(C(OO)=[O:20])C=1>C(Cl)(Cl)Cl>[F:10][C:8]1[CH:7]=[CH:6][C:5]2[O:11][CH:2]([CH2:3][OH:20])[CH2:1][C:4]=2[CH:9]=1 | 1 |
[OH:1][N:2]=[C:3]1[CH:8]=[CH:7][C:6](=[C:9]([C:12]2[CH:17]=[CH:16][CH:15]=[C:14]([CH3:18])[CH:13]=2)[C:10]#[N:11])[CH:5]=[CH:4]1.C(N(CC)CC)C.[CH3:26][S:27](Cl)(=[O:29])=[O:28].O>C1COCC1>[CH3:26][S:27]([O:1][N:2]=[C:3]1[CH:8]=[CH:7][C:6](=[C:9]([C:12]2[CH:17]=[CH:16][CH:15]=[C:14]([CH3:18])[CH:13]=2)[C:10]#[N:11])[CH:5]=[CH:4]1)(=[O:29])=[O:28] | 1 |
[CH2:1]=[C:2]1[CH:8]2[CH2:9][CH:5]([CH2:6][CH2:7]2)[C:4](=[O:10])[O:3]1.[CH2:11]([N:13]([CH2:16][CH3:17])[CH2:14][CH3:15])[CH3:12].[C-]#N.[K+]>C(#N)C>[CH2:11]([NH+:13]([CH2:16][CH3:17])[CH2:14][CH3:15])[CH3:12].[OH:3][C:2]1[CH:8]2[CH2:9][CH:5]([CH2:6][CH2:7]2)[C:4](=[O:10])[CH:1]=1 | 1 |
[F:1][C:2]1[CH:10]=[C:9]2[C:5]([C:6]([CH:17]3[CH2:22][CH2:21][NH:20][CH2:19][CH2:18]3)=[N:7][N:8]2[C:11]2[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=2)=[CH:4][CH:3]=1.Cl.FC1C=C2C(C(C3CCNCC3)=NN2C2C=CC=CC=2)=CC=1.Cl[CH2:47][CH2:48][CH2:49][CH:50]([C:58]1[CH:63]=[CH:62][C:61]([F:64])=[CH:60][CH:59]=1)[C:51]1[CH:56]=[CH:55][C:54]([F:57])=[CH:53][CH:52]=1.C([O-])([O-])=O.[Na+].[Na+]>O.CC(C)CC(=O)C>[F:57][C:54]1[CH:53]=[CH:52][C:51]([CH:50]([C:58]2[CH:59]=[CH:60][C:61]([F:64])=[CH:62][CH:63]=2)[CH2:49][CH2:48][CH2:47][N:20]2[CH2:21][CH2:22][CH:17]([C:6]3[C:5]4[C:9](=[CH:10][C:2]([F:1])=[CH:3][CH:4]=4)[N:8]([C:11]4[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=4)[N:7]=3)[CH2:18][CH2:19]2)=[CH:56][CH:55]=1 | 1 |
Cl.O[C@H]1CNCCC1.C(C)(C)(C)C=1N=C(SC1)NC(=O)CC1=CC=2N(C(CC(N2)=O)=O)C=C1>CC#N.N(C)(C)C=O.C(C)(C)N(C(C)C)CC.P(=O)(OC1=CC=CC=C1)(OC1=CC=CC=C1)Cl>C(C)(C)(C)C=1N=C(SC1)NC(=O)CC1=CC=2N(C(C=C(N2)N2C[C@@H](CCC2)O)=O)C=C1 | 3 |
[CH3:1][N:2]1[C:9](=[O:10])[CH2:8][CH2:7][C@H:3]1[C:4]([OH:6])=O.ON1C2C=CC=CC=2N=N1.[Cl:21][C:22]1[CH:27]=[C:26]([Cl:28])[CH:25]=[CH:24][C:23]=1[CH2:29][NH2:30].C(NC(C)C)(C)C.CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F>ClCCl.CS(C)=O.C(#N)C>[Cl:21][C:22]1[CH:27]=[C:26]([Cl:28])[CH:25]=[CH:24][C:23]=1[CH2:29][NH:30][C:4](=[O:6])[C@@H:3]1[CH2:7][CH2:8][C:9](=[O:10])[N:2]1[CH3:1] | 1 |
N1(C=NC=C1)C1=CC(=C(C(=C1)[N+](=O)[O-])N)C>[HH].[Pd]>N1(C=NC=C1)C1=CC(=C(C(=C1)N)N)C | 3 |
[N:1]([CH2:4][CH2:5][C:6]1[O:7][C:8]2[C:14]([Cl:15])=[CH:13][C:12]([Br:16])=[CH:11][C:9]=2[CH:10]=1)=[N+]=[N-].C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.O>C1COCC1>[Br:16][C:12]1[CH:13]=[C:14]([Cl:15])[C:8]2[O:7][C:6]([CH2:5][CH2:4][NH2:1])=[CH:10][C:9]=2[CH:11]=1 | 1 |
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