smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
CC[Mg+].[Br-].BrC1=C(C#N)C=CC(=C1)F>>BrC1=C(C=CC(=C1)F)C1(CC1)N | 5 |
[Br:1][C:2]1[CH:7]=[CH:6][CH:5]=[C:4]([Br:8])[N:3]=1.[OH:9]O>FC(F)(F)C(O)=O>[Br:1][C:2]1[CH:7]=[CH:6][CH:5]=[C:4]([Br:8])[N+:3]=1[O-:9] | 1 |
BrC1=C(C=CC=C1)/C=C/C(=O)OC.O=S1(C2(CNC2)CC(C1)NC(OCC1=CC=CC=C1)=O)=O>C1(=CC=CC=C1)C.C(Cl)(Cl)(Cl)[H].[Pd].[Pd].O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.C1(=CC=CC=C1)P(C1=CC=CC=2C(C3=CC=CC(=C3OC12)P(C1=CC=CC=C1)C1=CC=CC=C1)(C)C)C1=CC=CC=C1.C(=O)([O-])[O-].[Cs+].[Cs+]>C(C1=CC=CC=C1)OC(=O)NC1CS(C2(CN(C2)C2=C(C=CC=C2)/C=C/C(=O)OC)C1)(=O)=O | 3 |
Cl[CH2:2][C:3]1[O:7][N:6]=[C:5]([C:8]2[CH:17]=[CH:16][CH:15]=[C:14]3[C:9]=2[CH:10]=[CH:11][C:12]([N:18]([CH2:30][C:31]([O:33][C:34]([CH3:37])([CH3:36])[CH3:35])=[O:32])[S:19]([C:22]2[CH:27]=[C:26]([Cl:28])[CH:25]=[C:24]([Cl:29])[CH:23]=2)(=[O:21])=[O:20])=[CH:13]3)[N:4]=1.[NH:38]1[CH2:43][CH2:42][O:41][CH2:40][CH2:39]1.C(=O)([O-])[O-].[K+].[K+]>CN(C)C=O.C(OCC)(=O)C>[Cl:28][C:26]1[CH:27]=[C:22]([S:19]([N:18]([CH2:30][C:31]([O:33][C:34]([CH3:36])([CH3:35])[CH3:37])=[O:32])[C:12]2[CH:11]=[CH:10][C:9]3[C:14](=[CH:15][CH:16]=[CH:17][C:8]=3[C:5]3[N:4]=[C:3]([CH2:2][N:38]4[CH2:43][CH2:42][O:41][CH2:40][CH2:39]4)[O:7][N:6]=3)[CH:13]=2)(=[O:20])=[O:21])[CH:23]=[C:24]([Cl:29])[CH:25]=1 | 2 |
[CH3:1][C:2]1[CH:3]=[C:4]([CH:8]([CH2:11][CH2:12][CH2:13][CH3:14])[CH2:9][NH2:10])[CH:5]=[CH:6][CH:7]=1.[CH:15]([C:18]1[CH:23]=[CH:22][CH:21]=[C:20]([CH:24]([CH3:26])[CH3:25])[C:19]=1[N:27]=[C:28]=[O:29])([CH3:17])[CH3:16]>CCCCCC>[CH3:1][C:2]1[CH:3]=[C:4]([CH:8]([CH2:11][CH2:12][CH2:13][CH3:14])[CH2:9][NH:10][C:28]([NH:27][C:19]2[C:18]([CH:15]([CH3:16])[CH3:17])=[CH:23][CH:22]=[CH:21][C:20]=2[CH:24]([CH3:26])[CH3:25])=[O:29])[CH:5]=[CH:6][CH:7]=1 | 1 |
C1=CC=C(C=2C3=CC=CC=C3C(C12)=O)C(=O)Cl.S(C1=CC=C(C=C1)S)C1=CC=C(C=C1)S>>C1(C=CC=C2C3=CC=CC=C3C=C12)=O | 5 |
C(=O)([O-])[O-].[K+].[K+].[I:7][C:8]1[CH:13]=[CH:12][C:11]([OH:14])=[CH:10][CH:9]=1.Br[CH2:16][CH2:17][CH2:18][Cl:19]>CC(C)=O>[Cl:19][CH2:18][CH2:17][CH2:16][O:14][C:11]1[CH:12]=[CH:13][C:8]([I:7])=[CH:9][CH:10]=1 | 1 |
C(#N)C1=CC=C(C=C1)CC(=O)N.ClC1=NC(=CC(=C1)C(=O)C1=CN(C=2N=CN=CC21)C(C)C)OC>>C(#N)C1=CC=C(C=C1)CC(=O)NC1=NC(=CC(=C1)C(=O)C1=CN(C=2N=CN=CC21)C(C)C)OC | 5 |
[CH3:1][C:2]1[N:11]=[CH:10][C:9]2[CH2:8][CH2:7][CH:6]3[CH:12]([CH3:20])[C:13]4([CH2:18][CH2:19][C:5]3([C:21]3[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=3)[C:4]=2[N:3]=1)OCC[O:14]4.Cl>CO>[CH3:1][C:2]1[N:11]=[CH:10][C:9]2[CH2:8][CH2:7][CH:6]3[CH:12]([CH3:20])[C:13](=[O:14])[CH2:18][CH2:19][C:5]3([C:21]3[CH:22]=[CH:23][CH:24]=[CH:25][CH:26]=3)[C:4]=2[N:3]=1 | 2 |
[Cl:1][C:2]1[CH:10]=[C:9]([N:11]2[CH2:15][CH2:14][CH2:13][C:12]2=[O:16])[CH:8]=[CH:7][C:3]=1[C:4](O)=[O:5].S(Cl)([Cl:19])=O.CN1CCCC1=O>ClCCl>[Cl:1][C:2]1[CH:10]=[C:9]([N:11]2[CH2:15][CH2:14][CH2:13][C:12]2=[O:16])[CH:8]=[CH:7][C:3]=1[C:4]([Cl:19])=[O:5] | 2 |
Cl.NC1=CC2=C(NC(=NS2(=O)=O)C=2C([C@@](C3=CC=CC=C3C2O)(CCC(C)C)C)=O)C=C1>c1ccncc1.CC(=O)C.S(=O)(=O)(C)Cl>OC1=C(C([C@@](C2=CC=CC=C12)(CCC(C)C)C)=O)C1=NS(C2=C(N1)C=CC(=C2)NS(=O)(=O)C)(=O)=O | 3 |
N[C@H]1CN(CC1)C(=O)OC(C)(C)C.COC1=CC=C(CN(S(=O)(=O)C2=C(C=CC(=C2C=2N=NN(N2)CC2=CC=C(C=C2)OC)C=2C(=NC=CC2)NC(=O)OC(C)(C)C)S(=O)O)CC2=CC=C(C=C2)OC)C=C1>ClCCl.CCN(CC)CC>COC1=CC=C(CN(S(=O)(=O)C2=C(C=CC(=C2C=2N=NN(N2)CC2=CC=C(C=C2)OC)C=2C(=NC=CC2)NC(=O)OC(C)(C)C)S(=O)(=O)N[C@H]2CN(CC2)C(=O)OC(C)(C)C)CC2=CC=C(C=C2)OC)C=C1 | 3 |
[Cl:1][S:2]([N:5]=[C:6]=[O:7])(=[O:4])=[O:3].[CH2:8]([OH:15])[C:9]1[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=1>C(Cl)Cl>[Cl:1][S:2]([NH:5][C:6](=[O:7])[O:15][CH2:8][C:9]1[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=1)(=[O:4])=[O:3] | 2 |
C1(=C(C=CC=C1)N)N.BrC1=C(SC=C1)C=O>N(C)(C)C=O>BrC1=C(SC=C1)C1=NC2=C(N1)C=CC=C2 | 3 |
[F:1][C:2]1[CH:3]=[C:4]([N+:15]([O-])=O)[CH:5]=[C:6]2[C:10]=1[N:9]([CH2:11][CH2:12][F:13])[C:8](=[O:14])[CH2:7]2.[Cl-].[NH4+]>C(O)C.O.ClCCl.[Fe]>[NH2:15][C:4]1[CH:5]=[C:6]2[C:10](=[C:2]([F:1])[CH:3]=1)[N:9]([CH2:11][CH2:12][F:13])[C:8](=[O:14])[CH2:7]2 | 1 |
[CH2:1]([CH:3]([CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH3:15])[C:4](Cl)=[O:5])[CH3:2].[NH2:16][C:17]1[CH:18]=[C:19]([CH:23]=[CH:24][C:25]=1[CH3:26])[C:20]([OH:22])=[O:21]>>[CH2:1]([CH:3]([CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH3:15])[C:4]([NH:16][C:17]1[CH:18]=[C:19]([CH:23]=[CH:24][C:25]=1[CH3:26])[C:20]([OH:22])=[O:21])=[O:5])[CH3:2] | 1 |
C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.[F:20][C:21]1[CH:26]=[C:25]([OH:27])[CH:24]=[C:23]([F:28])[C:22]=1[C:29]1[N:34]=[C:33]([C:35]([O:37][CH3:38])=[O:36])[CH:32]=[CH:31][C:30]=1[F:39].O[CH2:41][CH2:42][N:43]1[CH2:47][CH2:46][CH2:45][C:44]1=[O:48].CC(OC(/N=N/C(OC(C)C)=O)=O)C>C1COCC1>[F:20][C:21]1[CH:26]=[C:25]([O:27][CH2:41][CH2:42][N:43]2[CH2:47][CH2:46][CH2:45][C:44]2=[O:48])[CH:24]=[C:23]([F:28])[C:22]=1[C:29]1[N:34]=[C:33]([C:35]([O:37][CH3:38])=[O:36])[CH:32]=[CH:31][C:30]=1[F:39] | 2 |
BrCC(C)C.O(C1=CC=CC=C1)CC1=NC2=C(N1)C=CC=C2>>C(C(C)C)N1C(=NC2=C1C=CC=C2)COC2=CC=CC=C2 | 5 |
[S:1]1[CH:5]=[CH:4][N:3]=[C:2]1[C:6]1[NH:7][C:8]2[C:13]([CH:14]=1)=[CH:12][CH:11]=[CH:10][C:9]=2[CH2:15]O.[CH3:17][N:18]1[CH:22]=[CH:21][N:20]=[C:19]1[SH:23].C(P(CCCC)CCCC)CCC.N(C(N1CCCCC1)=O)=NC(N1CCCCC1)=O>O1CCCC1.O>[CH3:17][N:18]1[CH:22]=[CH:21][N:20]=[C:19]1[S:23][CH2:15][C:9]1[CH:10]=[CH:11][CH:12]=[C:13]2[C:8]=1[NH:7][C:6]([C:2]1[S:1][CH:5]=[CH:4][N:3]=1)=[CH:14]2 | 1 |
C1C=C2C=C[C:9](O)=[C:10]([C:11]3C4[C:15](=[CH:16][CH:17]=[CH:18][CH:19]=4)[CH:14]=[CH:13][C:12]=3[OH:21])C2=CC=1.C([Sn](CCCC)(CCCC)CCCC)C=C.C(=O)CCCCCCC>>[CH2:9]=[CH:10][CH2:11][C@@H:12]([OH:21])[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH3:19] | 1 |
BrC=1C=C2C=C(NC(C2=C(C1)F)=O)C>CC#N.F[B-](F)(F)F.F[B-](F)(F)F.ClC[N+]12CC[N+](CC1)(CC2)F>BrC=1C=C2C(C(NC(C2=C(C1)F)=O)(C)O)(F)F | 3 |
[N+:1]([C:4]1[CH:9]=[CH:8][C:7]([C:10]2[N:15]=[C:14]3[N:16]([CH2:19][C:20]([F:23])([F:22])[F:21])[N:17]=[CH:18][C:13]3=[C:12]([N:24]3[CH2:29][C@@H:28]4[CH2:30][C@H:25]3[CH2:26][O:27]4)[N:11]=2)=[CH:6][CH:5]=1)([O-])=O>O1CCCC1.C(OCC)(=O)C>[C@H:28]12[CH2:30][C@H:25]([N:24]([C:12]3[N:11]=[C:10]([C:7]4[CH:6]=[CH:5][C:4]([NH2:1])=[CH:9][CH:8]=4)[N:15]=[C:14]4[N:16]([CH2:19][C:20]([F:22])([F:23])[F:21])[N:17]=[CH:18][C:13]=34)[CH2:29]1)[CH2:26][O:27]2 | 1 |
[OH:1][C:2]1[CH:7]=[CH:6][C:5]([CH:8]2[CH2:16][CH2:15][CH2:14][CH:13]3[N:9]2[CH2:10][CH2:11][CH2:12]3)=[CH:4][CH:3]=1.Br[CH2:18][CH2:19][CH2:20][CH2:21][Cl:22].C(=O)([O-])[O-].[K+].[K+]>CC(C)=O>[Cl:22][CH2:21][CH2:20][CH2:19][CH2:18][O:1][C:2]1[CH:3]=[CH:4][C:5]([CH:8]2[CH2:16][CH2:15][CH2:14][CH:13]3[N:9]2[CH2:10][CH2:11][CH2:12]3)=[CH:6][CH:7]=1 | 2 |
FC(OC=1C(=NC=C(C1)B1OC(C(O1)(C)C)(C)C)N)F.ClC1=CC(=NC(=N1)C1C(C1C)(F)F)N1[C@@H]2CO[C@H](C1)C2>O.O1CCOCC1.C(=O)([O-])[O-].[Cs+].[Cs+].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]>[C@@H]12OC[C@@H](N(C1)C1=CC(=NC(=N1)C1C(C1C)(F)F)C=1C=C(C(=NC1)N)OC(F)F)C2 | 3 |
COC(=O)C=1C=C2CNC(C2=CC1NC1=C(C=C(C=C1)I)F)=O>>FC1=C(C=CC(=C1)I)NC1=C(C=C2CNC(C2=C1)=O)C(=O)O | 5 |
ClC=1C=C2CCNCC2=C(C1)[C@H]1N(CCC1)C(=O)OC(C)(C)C.C12CN(CC(CC1)O2)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]>C([O-])([O-])=O.[K+].[K+].CN(C(C)=O)C>ClC=1C=C2CCN(CC2=C(C1)[C@H]1N(CCC1)C(=O)OC(C)(C)C)C(=O)N1CC2CCC(C1)O2 | 3 |
I[Si](C)(C)C.C(C1=CC=CC=C1)OC(=O)N1[C@@H]2C[C@H]([C@H](C1)C2)OC(=O)C=2C(=NOC2C2(CC2)F)C2=C(C=CC=C2Cl)Cl>ClCCl.Cl>ClC1=C(C(=CC=C1)Cl)C1=NOC(=C1C(=O)O[C@H]1[C@@H]2CN[C@H](C1)C2)C2(CC2)F | 3 |
BrC1C(NC(CC1)=O)=O.O=C1NC2=CC=C(C=3C2=C1C=CC3)CC3=CC=C(C=C3)N3CCC(CC3)C(=O)OC(C)(C)C>C1CCCO1.[H-].[Na+]>O=C1NC(CCC1N1C(C2=C3C(C(=CC=C13)CC1=CC=C(C=C1)C1CCN(CC1)C(=O)[O-])=CC=C2)=O)=O | 4 |
[Br-].C(C1=CC=CC=C1)[N+]1=CC=CC2=NC=C(C=C12)Br>C(C)(=O)O.C(#N)[BH3-].[Na+]>C(C1=CC=CC=C1)N1CCCC2=NC=C(C=C12)Br | 3 |
ClC=1N=C(C2=C(N1)C=C(S2)C=2C=C(C=CC2)SC[C@@H](C)O)N2CCOCC2>O.CO[H].S(=O)(=O)(O[O-])[O-].[K+].[K+]>ClC=1N=C(C2=C(N1)C=C(S2)C=2C=C(C=CC2)S(=O)(=O)C[C@@H](C)O)N2CCOCC2 | 3 |
CO[C@H]1[C@@H](CNC1)NC(OC(C)(C)C)=O.C(C)OC=1C=C(C=2N(C1)N=CC2C#N)C=2C=NC(=CC2)F>C(=O)(C(F)(F)F)O.CS(=O)C.C(C)(C)N(C(C)C)CC>N[C@@H]1CN(C[C@H]1OC)C1=CC=C(C=N1)C=1C=2N(C=C(C1)OCC)N=CC2C#N | 3 |
Cl[C:2]1[N:3]=[C:4]([N:21]2[CH2:26][CH2:25][O:24][CH2:23][CH2:22]2)[C:5]2[S:10][C:9]([C:11]3[CH:12]=[C:13]([CH:17]=[CH:18][CH:19]=3)[C:14]([OH:16])=[O:15])=[C:8]([CH3:20])[C:6]=2[N:7]=1.[NH2:27][C:28]1[N:33]=[CH:32][C:31](B2OC(C)(C)C(C)(C)O2)=[CH:30][N:29]=1>O>[NH2:27][C:28]1[N:33]=[CH:32][C:31]([C:2]2[N:3]=[C:4]([N:21]3[CH2:26][CH2:25][O:24][CH2:23][CH2:22]3)[C:5]3[S:10][C:9]([C:11]4[CH:12]=[C:13]([CH:17]=[CH:18][CH:19]=4)[C:14]([OH:16])=[O:15])=[C:8]([CH3:20])[C:6]=3[N:7]=2)=[CH:30][N:29]=1 | 2 |
C(=O)C=1C=C(C=CC1)B(O)O.[Si](C)(C)(C(C)(C)C)OC1=C(C=CC=C1)Br>>C12(CC3CC(CC(C1)C3)C2)C=2C=C(C=CC2O[Si](C)(C)C(C)(C)C)C=2C=C(C=O)C=CC2 | 5 |
Br[C:2]1[S:10][C:9]2[C:8](=[O:11])[N:7]([C:12]3[CH:17]=[CH:16][C:15]([O:18][CH2:19][CH2:20][N:21]4[CH2:25][CH2:24][CH2:23][CH2:22]4)=[C:14]([F:26])[CH:13]=3)[CH:6]=[N:5][C:4]=2[CH:3]=1.[C:27]([C:29]1([OH:34])[CH2:33][CH2:32][CH2:31][CH2:30]1)#[CH:28]>>[F:26][C:14]1[CH:13]=[C:12]([N:7]2[C:8](=[O:11])[C:9]3[S:10][C:2]([C:28]#[C:27][C:29]4([OH:34])[CH2:33][CH2:32][CH2:31][CH2:30]4)=[CH:3][C:4]=3[N:5]=[CH:6]2)[CH:17]=[CH:16][C:15]=1[O:18][CH2:19][CH2:20][N:21]1[CH2:25][CH2:24][CH2:23][CH2:22]1 | 1 |
[CH2:1]([O:8][C:9]1[CH:10]=[CH:11][C:12]([C@@H:20]([O:66][Si](C(C)(C)C)(C)C)[CH2:21][NH:22][CH2:23][CH2:24][C:25]2[CH:30]=[CH:29][C:28]([NH:31][C:32]([C:34]3[CH:35]=[C:36]([S:40]([C:43]4[CH:44]=[C:45]5[C:50](=[C:51]([CH3:53])[CH:52]=4)[N:49]=[CH:48][C:47]([C:54]([NH2:56])=[O:55])=[C:46]5[NH:57][C:58]4[CH:63]=[CH:62][CH:61]=[C:60]([O:64][CH3:65])[CH:59]=4)(=[O:42])=[O:41])[CH:37]=[CH:38][CH:39]=3)=[O:33])=[CH:27][CH:26]=2)=[C:13]2[C:18]=1[NH:17][C:16](=[O:19])[CH:15]=[CH:14]2)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.CCCC[N+](CCCC)(CCCC)CCCC.[F-].C(O)(=O)C>C(#N)C>[CH2:1]([O:8][C:9]1[CH:10]=[CH:11][C:12]([C@@H:20]([OH:66])[CH2:21][NH:22][CH2:23][CH2:24][C:25]2[CH:26]=[CH:27][C:28]([NH:31][C:32]([C:34]3[CH:35]=[C:36]([S:40]([C:43]4[CH:44]=[C:45]5[C:50](=[C:51]([CH3:53])[CH:52]=4)[N:49]=[CH:48][C:47]([C:54]([NH2:56])=[O:55])=[C:46]5[NH:57][C:58]4[CH:63]=[CH:62][CH:61]=[C:60]([O:64][CH3:65])[CH:59]=4)(=[O:42])=[O:41])[CH:37]=[CH:38][CH:39]=3)=[O:33])=[CH:29][CH:30]=2)=[C:13]2[C:18]=1[NH:17][C:16](=[O:19])[CH:15]=[CH:14]2)[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1 | 1 |
COC[C@@H](OC=1C=C(C=C(C1)OC1=NC=C(N=C1)S(=O)(=O)C)C1=CC=C(N1)C=1O[C@H](CN1)CO)C>ClCCl.B(Br)(Br)Br>OC[C@H]1CN=C(O1)C1=CC=C(N1)C=1C=C(O[C@H](CO)C)C=C(C1)OC1=NC=C(N=C1)S(=O)(=O)C | 3 |
O1CCOCC1.O.[C:8]12([NH:18][S:19]([C:22]3[CH:23]=[C:24]([C:32](O)=[O:33])[C:25]4[O:30][CH2:29][CH2:28][O:27][C:26]=4[CH:31]=3)(=[O:21])=[O:20])[CH2:17][CH:12]3[CH2:13][CH:14]([CH2:16][CH:10]([CH2:11]3)[CH2:9]1)[CH2:15]2.[CH2:35]([NH2:39])[CH2:36][CH2:37][CH3:38]>C(N(CC)CC)C>[CH2:35]([NH:39][C:32]([C:24]1[C:25]2[O:30][CH2:29][CH2:28][O:27][C:26]=2[CH:31]=[C:22]([S:19](=[O:21])(=[O:20])[NH:18][C:8]23[CH2:15][CH:14]4[CH2:13][CH:12]([CH2:11][CH:10]([CH2:16]4)[CH2:9]2)[CH2:17]3)[CH:23]=1)=[O:33])[CH2:36][CH2:37][CH3:38] | 1 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([N:8]2[C:12]([CH:13]([CH:17]3[CH2:22][CH2:21][CH2:20][CH2:19][CH2:18]3)[C:14]([OH:16])=[O:15])=[C:11]3[CH2:23][CH2:24][CH2:25][C:10]3=[N:9]2)=[CH:4][CH:3]=1.N1C=CC=CC=1.FC(F)(F)C(O[C:37]1[C:42]([F:43])=[C:41]([F:44])[C:40]([F:45])=[C:39]([F:46])[C:38]=1[F:47])=O>CN(C=O)C>[F:43][C:42]1[C:37]([O:15][C:14](=[O:16])[CH:13]([C:12]2[N:8]([C:5]3[CH:4]=[CH:3][C:2]([Cl:1])=[CH:7][CH:6]=3)[N:9]=[C:10]3[CH2:25][CH2:24][CH2:23][C:11]=23)[CH:17]2[CH2:22][CH2:21][CH2:20][CH2:19][CH2:18]2)=[C:38]([F:47])[C:39]([F:46])=[C:40]([F:45])[C:41]=1[F:44] | 1 |
NC1CCC(N[C@@H](COC([C@@H](CC1O)C)=O)C1=CC=CC=C1)=O>ClCCl.C(=O)(C=1NC=CN1)C=1NC=CN1.C(C)(C)N(C(C)C)CC>C[C@@H]1CC2C(CCC(N[C@@H](COC1=O)C1=CC=CC=C1)=O)NC(O2)=O | 3 |
ClC1=CC2=C(CC(O2)(C)CC)C=C1>O.ClCCl.[N+](=O)(O)[O-]>ClC1=CC2=C(CC(O2)(C)CC)C=C1[N+](=O)[O-] | 3 |
FC=1C=C(N)C=C(C1C(F)(F)F)F.ClC1=CC(=NC=2N1N=C(N2)SC)C>CCO[H]>FC=1C=C(C=C(C1C(F)(F)F)F)NC1=CC(=NC=2N1N=C(N2)SC)C | 3 |
C(C)(C)(C)OC(=O)N1CCC(=CC1)B1OC(C(O1)(C)C)(C)C.BrC=1C=CC(=NC1)C[C@H](NC(C1=C(C=CC=C1Cl)Cl)=O)C(=O)OC>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>C(C)(C)(C)OC(=O)N1CCC(=CC1)C=1C=CC(=NC1)C[C@H](NC(C1=C(C=CC=C1Cl)Cl)=O)C(=O)OC | 3 |
CS(O)(=O)=O.[OH:6][CH:7]1[CH2:12][CH2:11][N:10]([CH3:13])[CH2:9][CH2:8]1.[CH3:14][C:15]1[N:24]=[C:23]2[N:17]([CH2:18][CH2:19][C:20]3[CH:29]=[CH:28][CH:27]=[CH:26][C:21]=3[CH:22]2O)[C:16]=1[C:30]1[CH:35]=[CH:34][CH:33]=[CH:32][CH:31]=1.C([O-])([O-])=O.[Na+].[Na+]>C(Cl)(Cl)Cl>[CH3:14][C:15]1[N:24]=[C:23]2[N:17]([CH2:18][CH2:19][C:20]3[CH:29]=[CH:28][CH:27]=[CH:26][C:21]=3[CH:22]2[O:6][CH:7]2[CH2:12][CH2:11][N:10]([CH3:13])[CH2:9][CH2:8]2)[C:16]=1[C:30]1[CH:35]=[CH:34][CH:33]=[CH:32][CH:31]=1 | 1 |
ClC1=C(N=C2N1C=C(C=C2C(F)(F)F)C2CC2)C(=O)O.OC(=O)C(F)(F)F.CC(C)(C)[Si](O[C@@H]1CNCC[C@@H]1N1C(CCC1)=O)(C)C>>ClC1=C(N=C2N1C=C(C=C2C(F)(F)F)C2CC2)C(=O)N2C[C@H]([C@H](CC2)N2C(CCC2)=O)O[Si](C)(C)C(C)(C)C | 5 |
[CH2:1]([OH:4])[CH2:2][OH:3].[C:5]1([N:15]=[C:16]=[O:17])[C:14]2[C:9](=[CH:10][CH:11]=[CH:12][CH:13]=2)[CH:8]=[CH:7][CH:6]=1>O>[C:5]1([NH:15][C:16]([O:3][CH2:2][CH2:1][OH:4])=[O:17])[C:14]2[C:9](=[CH:10][CH:11]=[CH:12][CH:13]=2)[CH:8]=[CH:7][CH:6]=1 | 1 |
BrCCCCCCCC.OC1=CC=C(C=C1)C(C)=O>>C(CCCCCCC)OC1=CC=C(C=C1)C(C)=O | 5 |
FC(C(F)F)(OC=1C=C(C=O)C=CC1)F.O(C1=CC=CC=C1)C=1C=C(C=CC1)NCC(C(F)(F)F)O>C1(=CC=CC=C1)C.[Zn+2].[I-].[I-]>O(C1=CC=CC=C1)C=1C=C(C=CC1)N1C(OC(C1)C(F)(F)F)C1=CC(=CC=C1)OC(C(F)F)(F)F | 3 |
COC(CCCC1CCNCC1)=O.ICCCCN1C(C2C=CC=CC2C1=O)=O>>COC(CCCC1CCN(CC1)CCCCN1C(C2C=CC=CC2C1=O)=O)=O | 5 |
N1[C:9]2[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=2)[CH2:3]C1=O.[H-].[Na+].[N:13]([C:25]([O:27][CH2:28][C:29]1[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=1)=[O:26])=[N:14][C:15]([O:17][CH2:18][C:19]1[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=1)=[O:16].[CH3:35][N:36]([CH3:39])[CH:37]=[O:38]>>[CH2:28]([O:27][C:25]([N:13]([C:4]1([CH3:3])[C:9]2[C:35](=[CH:5][CH:6]=[CH:7][CH:8]=2)[N:36]([C:39]2[CH:8]=[CH:9][CH:4]=[CH:5][CH:6]=2)[C:37]1=[O:38])[NH:14][C:15]([O:17][CH2:18][C:19]1[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=1)=[O:16])=[O:26])[C:29]1[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=1 | 1 |
C(C)OC(=O)C1=CC=C(C=C1)C1CCCC=2N1C=NC2>C1(=CC=CC=C1)C.CC(C)C[AlH]CC(C)C.ClCCl>OCC1=CC=C(C=C1)C1CCCC=2N1C=NC2 | 3 |
[CH2:1]([O:3][C:4](=[O:28])[CH2:5][C:6]1[CH:11]=[CH:10][CH:9]=[C:8]([O:12][C:13]2[CH:18]=[CH:17][C:16](Br)=[CH:15][C:14]=2[CH2:20][S:21][C:22]2[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=2)[CH:7]=1)[CH3:2].[CH3:29][N:30]1[CH:34]=[C:33](B2OC(C)(C)C(C)(C)O2)[CH:32]=[N:31]1.C(=O)([O-])[O-].[K+].[K+]>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=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>[CH2:1]([O:3][C:4](=[O:28])[CH2:5][C:6]1[CH:11]=[CH:10][CH:9]=[C:8]([O:12][C:13]2[CH:18]=[CH:17][C:16]([C:33]3[CH:32]=[N:31][N:30]([CH3:29])[CH:34]=3)=[CH:15][C:14]=2[CH2:20][S:21][C:22]2[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=2)[CH:7]=1)[CH3:2] | 2 |
C(C1=CC=CC=C1)ON(C=O)C[C@H](CC(C)C)C(=O)N1CCN(CC1)C1=CC=C(C=C1)OC>>ON(C=O)C[C@H](CC(C)C)C(=O)N1CCN(CC1)C1=CC=C(C=C1)OC | 5 |
C1(=CC=C(C=C1)S(=O)(=O)N=C=O)C.CN(C1=CC(=CC=2N1N=C(N2)N)C=2C=NC=CC2)C2CCN(CC2)C>N(C)(C)C=O.C1CCCO1>C(C)NC(=O)NC1=NN2C(C=C(C=C2N(C2CCN(CC2)C)C)C=2C=NC=CC2)=N1 | 3 |
C(#N)C1=CC=C(N1C)B(O)O.BrC1=C(C=C(C=C1)S(=O)(=O)NC1CC1)F>[F-].[K+].C(C)(C)(C)P(C(C)(C)C)C(C)(C)C.[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(#N)C1=CC=C(N1C)C1=C(C=C(C=C1)S(=O)(=O)NC1CC1)F | 3 |
CS(=O)(=O)Cl.C1(CC1)S(=O)(=O)Cl.N[C@@H](CCC1=C(C=NC=C1F)NC([C@H]([C@@H](C1=CC=C(C=C1)F)C1=CC(=CC(=C1)F)F)N=[N+]=[N-])=O)CO>>N(=[N+]=[N-])[C@H](C(=O)NC=1C=NC=C(C1CCC1[N@](C1)S(=O)(=O)C1CC1)F)[C@@H](C1=CC=C(C=C1)F)C1=CC(=CC(=C1)F)F | 5 |
FC1=CC(=C2C=NC(=NC2=C1F)C)NC1C(CC(C2=C(C(=CC=C12)C(C)C)OC)(C)C)(O)C(F)(F)F>>FC1=CC(=C2C=NC(=NC2=C1F)C)NC1C=2C=CC(=C(C2C(CC1(O)C(F)(F)F)(C)C)O)C(C)C | 5 |
ClC(C(=O)Cl)C.FC(C(=O)O)(F)F.NC(CO)C1CC(C1)OCC1=CC=CC=C1>>C(C1=CC=CC=C1)OC1CC(C1)C(CO)NC(C(C)Cl)=O | 5 |
C1(=CC=C(C=C1)S(=O)(=O)OCCCCC1=CNC2=CC=C(C=C12)C#N)C.CC1=CC=2C(N(C=CC2O1)C1=CC=C(C=C1)N1CCNCC1)=O>CC#N.C([O-])([O-])=O.[K+].[K+].[I-].[K+]>CC1=CC=2C(N(C=CC2O1)C1=CC=C(C=C1)N1CCN(CC1)CCCCC1=CNC2=CC=C(C=C12)C#N)=O | 3 |
Cl[C:2]1[N:3]=[C:4]([NH2:20])[C:5]2[N:6]=[CH:7][N:8]([C:18]=2[N:19]=1)[C@@H:9]1[O:17][C@H:14]([CH2:15][OH:16])[C@@H:12]([OH:13])[C@H:10]1[OH:11].[Na].[SH2:22]>CN(C)C=O.O.C(O)(=O)C>[CH:7]1[N:8]([C@@H:9]2[O:17][C@H:14]([CH2:15][OH:16])[C@@H:12]([OH:13])[C@H:10]2[OH:11])[C:18]2[C:5](=[C:4]([NH2:20])[NH:3][C:2]([N:19]=2)=[S:22])[N:6]=1 | 1 |
ClC(C(CC(=O)OCC)=O)(F)F>CO[H].C(C)(=O)[O-].[NH4+]>NC(=CC(=O)OCC)C(F)(F)Cl | 3 |
C(C)(C)(C)OC(=O)N1C(=CC2=CC(=CC=C12)O[Si](C)(C)C(C)(C)C)B(O)O.C(C)(C)(C)OC(NCCCCN1N=C(C=2C1=NC=NC2N)I)=O>O.C(C)(=O)OCC.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].P(=O)([O-])([O-])[O-].[K+].[K+].[K+].COC1=C(C(=CC=C1)OC)C1=C(C=CC=C1)P(C1CCCCC1)C1CCCCC1>C(C)(C)(C)OC(NCCCCN1N=C(C=2C1=NC=NC2N)C=2NC1=CC=C(C=C1C2)O[Si](C)(C)C(C)(C)C)=O | 3 |
[CH3:1][C:2]1([CH:10]=[O:11])[CH2:7][CH2:6][C:5]([CH3:8])=[CH:4][CH:3]1[CH3:9].[CH:12]([Mg]Br)([CH3:14])[CH3:13]>>[CH3:13][CH:12]([CH3:14])[CH:10]([C:2]1([CH3:1])[CH2:7][CH2:6][C:5]([CH3:8])=[CH:4][CH:3]1[CH3:9])[OH:11] | 1 |
C(C)(=O)N.ClC1=NC=CC(=C1)OC=1C=CC(=NC1)NC(=O)N1C(N(CC1)C1CCOCC1)=O>O1CCOCC1.[Pd].[Pd].O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.C1(=CC=CC=C1)P(C1=CC=CC=2C(C3=CC=CC(=C3OC12)P(C1=CC=CC=C1)C1=CC=CC=C1)(C)C)C1=CC=CC=C1.C(=O)([O-])[O-].[Cs+].[Cs+]>C(C)(=O)NC1=NC=CC(=C1)OC=1C=CC(=NC1)NC(=O)N1C(N(CC1)C1CCOCC1)=O | 3 |
CS(=O)(=O)Cl.[Si](C)(C)(C(C)(C)C)O[C@@H](CNC(OC(C)(C)C)=O)CC(O)C1=CC(=CC=C1)F>>[Si](C)(C)(C(C)(C)C)O[C@@H]1CC(N(C1)C(=O)OC(C)(C)C)C1=CC(=CC=C1)F | 5 |
NC1=NC(=NS1)CCl.FC=1C=C(CN=C=O)C=CC1>>FC=1C=C(CNC(=O)NC2=NC(=NS2)CCl)C=CC1 | 5 |
BrCC(C(=O)OCC)=O.NC=1SC2=C(N1)C=CC(=C2)[N+](=O)[O-]>N(C)(C)C=O.N>[N+](=O)([O-])C1=CC2=C(N3C(S2)=NC(=C3)C(=O)OCC)C=C1 | 3 |
[OH:1][CH2:2][C:3]([C@H:5]([C@@H:7]([C@@H:9]([CH2:11][OH:12])[OH:10])[OH:8])[OH:6])=[O:4].[Cl-:13].[Mg+2:14].[Cl-].[C:16]([O-:19])(=[O:18])[CH3:17].[Zr+4:20].[C:21]([O-:24])(=[O:23])[CH3:22].[C:25]([O-:28])(=[O:27])[CH3:26].[C:29]([O-:32])(=[O:31])[CH3:30]>>[OH:1][CH2:2][C:3]([C@H:5]([C@@H:7]([C@@H:9]([CH2:11][OH:12])[OH:10])[OH:8])[OH:6])=[O:4].[Cl-:13].[Mg+2:14].[Cl-:13].[C:16]([O-:19])(=[O:18])[CH3:17].[Zr+4:20].[C:21]([O-:24])(=[O:23])[CH3:22].[C:25]([O-:28])(=[O:27])[CH3:26].[C:29]([O-:32])(=[O:31])[CH3:30] | 1 |
FC(CN1CCN(CC1)CCOCC1=C(C=CC=C1)C=1C=C2C(N(C=NC2=C(C1)OCOCC[Si](C)(C)C)COCC[Si](C)(C)C)=O)(F)F>>FC(C(=O)O)(F)F.OC=1C=C(C=C2C(NC=NC12)=O)C1=C(C=CC=C1)COCCN1CCN(CC1)CC(F)(F)F | 5 |
ClC=1C=C(C=CC1F)NC1=NC=NN2C1=C(C=C2)CC2(CCC(CC2)=O)O>>NC1CCC(CC1)(O)CC=1C=CN2N=CN=C(C21)NC2=CC(=C(C=C2)F)Cl | 5 |
[CH2:1]([O:5][C:6]1[CH:16]=[CH:15][C:9]([C:10]([O:12]CC)=[O:11])=[CH:8][CH:7]=1)[CH2:2][CH2:3][CH3:4].[OH-].[Na+].Cl>CCO.O>[CH2:1]([O:5][C:6]1[CH:16]=[CH:15][C:9]([C:10]([OH:12])=[O:11])=[CH:8][CH:7]=1)[CH2:2][CH2:3][CH3:4] | 1 |
C[Si](C)(C)C#C.C(C)(=O)O[C@H]1[C@]2(O[C@@H]([C@@H]([C@@H]1OC(C)=O)OC(C)=O)COC(C)=O)OCC1=CC(=C(C=C12)CC1=CC=C(C=C1)CC)Cl>CC#N.C(=O)([O-])[O-].[Cs+].[Cs+].[Pd](Cl)Cl.C(C)#N.C(C)#N.P(c2ccccc2c1c(cc(cc1C(C)C)C(C)C)C(C)C)(C3CCCCC3)C4CCCCC4>C(C)(=O)O[C@H]1[C@]2(O[C@@H]([C@@H]([C@@H]1OC(C)=O)OC(C)=O)COC(C)=O)OCC1=CC(=C(C=C12)CC1=CC=C(C=C1)CC)C#C[Si](C)(C)C | 3 |
O1CCCC=C1.C(CCCC#C)O>ClCCl.C1(=CC=C(C=C1)S(=O)(=O)[O-])C.[NH+]1=CC=CC=C1>C(CCCC#C)OC1OCCCC1 | 3 |
COC1C=CC(C[N:8]2[C:17]3[C:12](=[CH:13][CH:14]=[CH:15][CH:16]=3)[C:11](=[O:18])[C:10]([C:19]([C:21]3[CH:22]=[N:23][C:24]([C:27]([F:30])([F:29])[F:28])=[CH:25][CH:26]=3)=[O:20])=[CH:9]2)=CC=1>Cl.O1CCOCC1>[F:30][C:27]([F:28])([F:29])[C:24]1[N:23]=[CH:22][C:21]([C:19]([C:10]2[C:11](=[O:18])[C:12]3[C:17](=[CH:16][CH:15]=[CH:14][CH:13]=3)[NH:8][CH:9]=2)=[O:20])=[CH:26][CH:25]=1 | 1 |
NC1=C(C(N(C(N1CCC)=O)CC1=CC=C(C=C1)Cl)=O)N=O>CC#N.N.S(=O)([O-])S(=O)[O-].[Na+].[Na+]>NC=1C(N(C(N(C1N)CCC)=O)CC1=CC=C(C=C1)Cl)=O | 3 |
C(C)OC(CC1(OCCC2=C1NC1=C(C=C(C=C21)Br)CC)CC)=O>C1CCCO1.[BH4-].[Li+]>BrC=1C=C2C3=C(NC2=C(C1)CC)C(OCC3)(CC)CCO | 3 |
COC1=NC=C(C(=N1)OC)C=1SC=CN1>>Cl.S1C(=NC=C1)C=1C(NC(NC1)=O)=O | 5 |
[OH-].[Li+].[CH2:3]([N:5]([CH2:8][CH:9]1[CH2:11][CH:10]1[C:12]1[CH:17]=[C:16]([F:18])[CH:15]=[CH:14][C:13]=1[S:19]([NH:22][C:23]1[C:32]([C:33]([O:35]C)=[O:34])=[C:31]2[C:26]([C@H:27]3[CH2:37][C@H:28]3[CH2:29][O:30]2)=[CH:25][CH:24]=1)(=[O:21])=[O:20])[CH2:6][CH3:7])[CH3:4].C(O)(=O)CC(CC(O)=O)(C(O)=O)O>O1CCOCC1.O>[CH2:3]([N:5]([CH2:8][CH:9]1[CH2:11][CH:10]1[C:12]1[CH:17]=[C:16]([F:18])[CH:15]=[CH:14][C:13]=1[S:19]([NH:22][C:23]1[C:32]([C:33]([OH:35])=[O:34])=[C:31]2[C:26]([C@H:27]3[CH2:37][C@H:28]3[CH2:29][O:30]2)=[CH:25][CH:24]=1)(=[O:20])=[O:21])[CH2:6][CH3:7])[CH3:4] | 2 |
C(CCC)[Sn](C1=NC=CC=C1)(CCCC)CCCC.FC(C=1NC2=C(C=C(C=C2C1)CNC(=O)C1=NC=C(C=C1)C(F)(F)F)Br)(F)F>[Cu]I.C1(=CC=CC=C1)C.[Cl-].[Li+].c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>N1=C(C=CC=C1)C=1C=C(C=C2C=C(NC12)C(F)(F)F)CNC(=O)C=1C=NC(=CC1)C(F)(F)F | 3 |
NC=1C(=NC(=CN1)C1=CC=C(C=C1)CCO[Si](C)(C)C(C)(C)C)C(=O)NC=1C=NC=CC1>C1CCCO1.[F-].C(CCC)[N+](CCCC)(CCCC)CCCC>NC=1C(=NC(=CN1)C1=CC=C(C=C1)CCO)C(=O)NC=1C=NC=CC1 | 3 |
FC1=CC=C(C=O)C=C1.COC=1C=CC=C2CCC(C12)=O>>FC1=CC=C(C=C2C(C3=C(C=CC=C3C2)OC)=O)C=C1 | 5 |
[Br:1][C:2]1[CH:11]=[C:10]2[C:5]([N:6]=[CH:7][C:8]([C:12]3[CH:13]=[N:14][NH:15][CH:16]=3)=[N:9]2)=[CH:4][CH:3]=1.[H-].[Na+].[CH3:19][N:20]([CH3:24])[CH2:21][CH2:22]Br>CN(C)C=O>[Br:1][C:2]1[CH:11]=[C:10]2[C:5]([N:6]=[CH:7][C:8]([C:12]3[CH:16]=[N:15][N:14]([CH2:22][CH2:21][N:20]([CH3:24])[CH3:19])[CH:13]=3)=[N:9]2)=[CH:4][CH:3]=1 | 1 |
C(C)OC(CCCNC(=O)C=1C(=C2C=C(C(N(C2=CN1)CC1CCCCC1)=O)C1=CC=CC=C1)O)=O>>C1(CCCCC1)CN1C(C(=CC2=C(C(=NC=C12)C(=O)NCCCC(=O)O)O)C1=CC=CC=C1)=O | 5 |
ClC1=C(C=CC=C1)C1=CC(=C(C=C1Cl)OC)C(=O)N1CCN(CC1)C(C=C)=O>ClCCl.B(Br)(Br)Br.C(O)([O-])=O.[Na+]>ClC1=C(C=CC=C1)C1=CC(=C(C=C1Cl)O)C(=O)N1CCN(CC1)C(C=C)=O | 3 |
[C:1]([N:8]1[CH2:13][CH2:12][CH2:11][CH2:10][C:9]1=O)([O:3][C:4]([CH3:7])([CH3:6])[CH3:5])=[O:2].[NH3:15].[BH4-].[Na+]>CCO.CC(C)[O-].[Ti+4].CC(C)[O-].CC(C)[O-].CC(C)[O-]>[C:4]([O:3][C:1]([N:8]1[CH2:13][CH2:12][CH:11]([NH2:15])[CH2:10][CH2:9]1)=[O:2])([CH3:7])([CH3:6])[CH3:5] | 1 |
[CH3:1][N:2]([CH3:17])[CH2:3][CH2:4][CH2:5][C:6]1[C:14]2[CH2:13][CH2:12][CH2:11][CH2:10][C:9]=2[NH:8][C:7]=1[CH:15]=O.[CH3:18][NH:19][S:20]([C:23]1[CH:24]=[C:25]2[C:29](=[CH:30][CH:31]=1)[NH:28][C:27](=[O:32])[CH2:26]2)(=[O:22])=[O:21].N1CCCCC1>C(O)C>[CH3:18][NH:19][S:20]([C:23]1[CH:24]=[C:25]2[C:29](=[CH:30][CH:31]=1)[NH:28][C:27](=[O:32])/[C:26]/2=[CH:15]\[C:7]1[NH:8][C:9]2[CH2:10][CH2:11][CH2:12][CH2:13][C:14]=2[C:6]=1[CH2:5][CH2:4][CH2:3][N:2]([CH3:17])[CH3:1])(=[O:22])=[O:21] | 1 |
[Si]([O:8][C@@H:9]1[C@@:34]2([CH3:35])[C:13](=[CH:14][CH:15]=[C:16]3[C@@H:33]2[CH2:32][CH2:31][C@@:30]2([CH3:36])[C@H:17]3[CH2:18][CH:19]=[C:20]2[C@H:21]([O:23][CH2:24][CH2:25][C:26]([OH:29])([CH3:28])[CH3:27])[CH3:22])[CH2:12][C@@H:11]([O:37][Si](C(C)(C)C)(C)C)[CH2:10]1)(C(C)(C)C)(C)C.[F-].C([N+](CCCC)(CCCC)CCCC)CCC>O1CCCC1.C(OCC)(=O)C>[OH:8][C@@H:9]1[C@@:34]2([CH3:35])[C:13](=[CH:14][CH:15]=[C:16]3[C@@H:33]2[CH2:32][CH2:31][C@@:30]2([CH3:36])[C@H:17]3[CH2:18][CH:19]=[C:20]2[C@H:21]([O:23][CH2:24][CH2:25][C:26]([OH:29])([CH3:27])[CH3:28])[CH3:22])[CH2:12][C@@H:11]([OH:37])[CH2:10]1 | 1 |
[OH-:1].[Na+].[Cl:3][C:4]1[CH:9]=[CH:8][C:7]([OH:10])=[CH:6][CH:5]=1.[C:11]1(=O)[CH2:16][CH2:15][CH2:14][CH2:13][CH2:12]1.C(Cl)(Cl)Cl.Cl.C1[CH2:27][O:26]CC1>>[Cl:3][C:4]1[CH:9]=[CH:8][C:7]([O:10][C:11]2([C:27]([OH:26])=[O:1])[CH2:16][CH2:15][CH2:14][CH2:13][CH2:12]2)=[CH:6][CH:5]=1 | 1 |
[F:1][C:2]1[CH:7]=[C:6]([C@@H:8]([CH3:12])[C:9]([OH:11])=[O:10])[CH:5]=[CH:4][C:3]=1[C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1.[CH2:19]([NH:26][CH2:27][C:28]1[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=1)[C:20]1[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=1>C(O)C>[CH2:27]([NH:26][CH2:19][C:20]1[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=1)[C:28]1[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=1.[F:1][C:2]1[CH:7]=[C:6]([C@@H:8]([CH3:12])[C:9]([OH:11])=[O:10])[CH:5]=[CH:4][C:3]=1[C:13]1[CH:14]=[CH:15][CH:16]=[CH:17][CH:18]=1 | 2 |
FC=1C=C(C=C(C1)F)C(C1=CN=C(S1)NC(OC(C)(C)C)=O)O>C(=O)(C(F)(F)F)O.C(O)([O-])=O.[Na+].C(C)[SiH](CC)CC>FC=1C=C(CC2=CN=C(S2)N)C=C(C1)F | 3 |
N1CCC(CC1)N1C(NC2=CC=CC=C2C1)=O.COC(C(CC=1C=NC(=CC1)OCC1=CC=CC=C1)N)=O>>COC(C(CC=1C=NC(=CC1)OCC1=CC=CC=C1)NC(=O)N1CCC(CC1)N1C(NC2=CC=CC=C2C1)=O)=O | 5 |
C(C)(C)(C)OC(=O)N1CCN(CC1)C(=O)C1=C(N(C2=CC(=CC=C12)OCC(=O)OC(C)(C)C)C1=CC=CC=C1)OC1=C(C=CC(=C1)F)C>>FC=1C=CC(=C(OC=2N(C3=CC(=CC=C3C2C(=O)N2CCNCC2)OCC(=O)O)C2=CC=CC=C2)C1)C | 5 |
FC1=C(C=CC=C1F)N1C(=NN=C1)C=1C(=NC=CN1)N>CC#N.BrN1C(CCC1=O)=O>BrC=1N=C(C(=NC1)N)C1=NN=CN1C1=C(C(=CC=C1)F)F | 3 |
CN(S(=O)(=O)C=1SC=CC1)C1=C(SC2=C1NC(=C2)C=2SC1(CN2)CCNCC1)C>>C(C)(=O)N1CCC2(CN=C(S2)C2=CC3=C(N2)C(=C(S3)C)N(S(=O)(=O)C=3SC=CC3)C)CC1 | 5 |
[H-].[Na+].[CH:3]1([C:6]2([OH:10])[CH2:9][O:8][CH2:7]2)[CH2:5][CH2:4]1.[C:11](=O)([O:19]C1C=CC=CN=1)[O:12][C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][N:14]=1>C1COCC1.CCOC(C)=O.[Cl-].[Na+].O>[C:11](=[O:19])([O:12][C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][N:14]=1)[O:10][C:6]1([CH:3]2[CH2:5][CH2:4]2)[CH2:9][O:8][CH2:7]1 | 2 |
[I:1][C:2]1[CH:23]=[CH:22][C:5]([O:6][CH2:7][CH2:8][NH:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH3:21])=[CH:4][CH:3]=1.C([BH3-])#N.[Na+].O=[CH:29][CH2:30][CH2:31][C:32]([O:34][CH2:35][CH3:36])=[O:33]>CO.C(OCC)(=O)C>[CH2:10]([N:9]([CH2:29][CH2:30][CH2:31][C:32]([O:34][CH2:35][CH3:36])=[O:33])[CH2:8][CH2:7][O:6][C:5]1[CH:22]=[CH:23][C:2]([I:1])=[CH:3][CH:4]=1)[CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH3:21] | 1 |
C(C)OC(C(C)(C)OC1=C(C=C(C=C1)O)C)=O.CC(CO)(CC#CC1=CC=C(C=C1)OC(F)(F)F)C>ClCCl.FC(S(=O)(=O)OS(=O)(=O)C(F)(F)F)(F)F.C(=O)([O-])[O-].[Cs+].[Cs+].C(C)(C)(C)C1=NC(=CC=C1)C(C)(C)C>C(C)OC(C(C)(C)OC1=C(C=C(C=C1)OCC(CC#CC1=CC=C(C=C1)OC(F)(F)F)(C)C)C)=O | 3 |
C(#N)C=1C=C(C=O)C=CC1F.CC1NCCCC1.COC(C1=CC(=C(C=C1)F)C#N)=O>N(C)(C)C=O.C1CCCO1.[OH-].[Li+]>C(#N)C=1C=C(C(=O)O)C=CC1N1C(CCCC1)C | 3 |
COC1=CC=C(C=C1)OC1=CC=C(C=C1)[N+](=O)[O-]>[HH].C(C)(=O)OCC.[Pt]>COC1=CC=C(OC2=CC=C(N)C=C2)C=C1 | 3 |
C(C=CC1=CC=CC=C1)(=O)Cl.NC=1SC=2N=C(N=CC2N1)NC=1C=C(C=CC1C)NC(C1=CC(=CC=C1)C(C)(C)C#N)=O>>C(#N)C(C)(C)C=1C=C(C(=O)NC2=CC(=C(C=C2)C)NC=2N=CC3=C(N2)SC(=N3)NC(\C=C\C3=CC=CC=C3)=O)C=CC1 | 5 |
ClC1=NC=NC=2NC3=CC(=CC=C3C21)S(=O)(=O)NC2(CC2)C#N.OC[C@@H]1N(CCNC1)C(C(C)C)=O>CCN(CC)CC.[Cl-].C[Al+]C>C(#N)C1(CC1)NS(=O)(=O)C1=CC=C2C3=C(NC2=C1)N=CN=C3N3C[C@@H](N(CC3)C(C(C)C)=O)CO | 3 |
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