smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
Cl.[C:2]([C:4]1([NH:10][C:11]([CH:13]([NH:21][C:22]([N:24]2[CH2:29][CH2:28][O:27][CH2:26][CH2:25]2)=[O:23])[CH2:14][CH:15]2[CH2:20][CH2:19][CH2:18][CH2:17][CH2:16]2)=[O:12])[CH2:9][CH2:8][NH:7][CH2:6][CH2:5]1)#[N:3].[CH3:30][S:31](Cl)(=[O:33])=[O:32].CN1CCOCC1>C(Cl)Cl>[C:2]([C:4]1([NH:10][C:11]([CH:13]([NH:21][C:22]([N:24]2[CH2:29][CH2:28][O:27][CH2:26][CH2:25]2)=[O:23])[CH2:14][CH:15]2[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20]2)=[O:12])[CH2:5][CH2:6][N:7]([S:31]([CH3:30])(=[O:33])=[O:32])[CH2:8][CH2:9]1)#[N:3] | 1 |
[F-].C([N+](CCCC)(CCCC)CCCC)CCC.[Si](OCCO[C:40]1[N:41]=[C:42]2[C:47](=[CH:48][CH:49]=1)[N:46]=[C:45](CC)[CH:44]=[C:43]2OCC1C=CC(C2C=CC=CC=2C2N=NN(C(C3C=CC=CC=3)(C3C=CC=CC=3)C3C=CC=CC=3)N=2)=CC=1)(C(C)(C)C)(C1C=CC=CC=1)C1C=CC=CC=1>C1COCC1>[N:41]1[C:42]2[C:47](=[N:46][CH:45]=[CH:44][CH:43]=2)[CH:48]=[CH:49][CH:40]=1 | 1 |
FC=1C=CC(=NC1)C1=NN(C(=C1)C(=O)OCC)CC(C(F)(F)F)O>C1CCCO1.CC(C)C[AlH]CC(C)C.CC(=O)C>BrC1=C2N(N=C1C1=NC=C(C=C1)F)C[C@H]1[C@@H]2C1.FC(C(CN1N=C(C=C1CO)C1=NC=C(C=C1)F)O)(F)F | 3 |
C(C)(C)(C)OC(=O)NCCNC(COC1=CC=C(C(=O)C2=CC=C(OCC(=O)NC3=CC=C(C=C3)C3=C(C=C(C=C3)C(C(=O)OCC3=CC=CC=C3)C)F)C=C2)C=C1)=O>Cl.O1CCOCC1>NCCNC(COC1=CC=C(C(=O)C2=CC=C(OCC(=O)NC3=CC=C(C=C3)C3=C(C=C(C=C3)C(C(=O)OCC3=CC=CC=C3)C)F)C=C2)C=C1)=O | 3 |
COC(=O)C1=NC=CC(=C1)CC1=CC=C(C=C1)CN1N=CC(=C1)C>O.C1CCCO1.CO[H].[OH-].[Li+]>CC=1C=NN(C1)CC1=CC=C(CC2=CC(=NC=C2)C(=O)O)C=C1 | 3 |
C(C)(C)(C)OC(=O)N1C[C@@H](OC[C@@H]1[C@H]([C@H](CC1=CC(=CC=C1)OCC1=CC=CC=C1)NC(C)=O)O)OCC1(CCCC1)C>CO[H].O.O.[Pd].[HH]>C(C)(C)(C)OC(=O)N1C[C@@H](OC[C@@H]1[C@H]([C@H](CC1=CC(=CC=C1)O)NC(C)=O)O)OCC1(CCCC1)C | 3 |
Cl.C[C@H](CN1CCOCC1)N.FC1=C(C=CC=C1F)C1=CC(=CC(=C1)C1=NC=C(C=C1)C)C(=O)O>>FC1=C(C=CC=C1F)C1=CC(=CC(=C1)C1=NC=C(C=C1)C)C(=O)N[C@@H](CN1CCOCC1)C | 5 |
N#CBr.N(N)C1=NC=CC=C1>>Br.N=1N=C(N2C1C=CC=C2)N | 5 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[C:14]3[CH:15]=[CH:16][CH:17]=[CH:18][C:13]=3[N:12]3[C:19]([CH3:22])=[N:20][N:21]=[C:11]3[CH:10]([CH2:23][C:24]([OH:26])=O)[CH:9]=2)=[CH:4][CH:3]=1.CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.C(N(CC)CC)C.Cl.[CH:59]12[NH:65][CH:62]([CH2:63][CH2:64]1)[CH2:61][CH2:60]2>CN(C=O)C>[CH:62]12[N:65]([C:24](=[O:26])[CH2:23][CH:10]3[CH:9]=[C:8]([C:5]4[CH:6]=[CH:7][C:2]([Cl:1])=[CH:3][CH:4]=4)[C:14]4[CH:15]=[CH:16][CH:17]=[CH:18][C:13]=4[N:12]4[C:19]([CH3:22])=[N:20][N:21]=[C:11]34)[CH:59]([CH2:64][CH2:63]1)[CH2:60][CH2:61]2 | 2 |
[C:1]1([CH2:7][CH2:8][CH2:9][C:10]([OH:12])=O)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[NH2:13][C@@H:14]1[CH2:23][CH2:22][C:21]2[C:16](=[C:17]([N:24]3[CH2:29][CH2:28][N:27]([CH3:30])[CH2:26][CH2:25]3)[CH:18]=[CH:19][CH:20]=2)[CH2:15]1.C(N(CC)CC)C>S(Cl)(Cl)=O.C(Cl)Cl>[CH3:30][N:27]1[CH2:28][CH2:29][N:24]([C:17]2[CH:18]=[CH:19][CH:20]=[C:21]3[C:16]=2[CH2:15][C@H:14]([NH:13][C:10](=[O:12])[CH2:9][CH2:8][CH2:7][C:1]2[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=2)[CH2:23][CH2:22]3)[CH2:25][CH2:26]1 | 1 |
OCCN1CC2=CC=CC=C2CC1>>OCCN1C(C2=CC=CC=C2CC1)=O | 5 |
FC=1C=C(C=C(C1)F)[C@H]1N(OCC1)C(=O)OC(C)(C)C>ClCCl.C(=O)(C(F)(F)F)O>FC=1C=C(C=C(C1)F)[C@H]1NOCC1 | 3 |
[C:1]([NH:4][C:5]1[CH:6]=[C:7]2[C:11](=[CH:12][CH:13]=1)[C:10]1([C:17](=[O:18])[N:16]([CH2:19][C:20](O)=[O:21])[C:15](=[O:23])[NH:14]1)[CH2:9][CH2:8]2)(=[O:3])[CH3:2].[CH2:24]([NH:31][C@H:32]([CH:34]1[CH2:36][CH2:35]1)[CH3:33])[C:25]1[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=1.CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.CCN(C(C)C)C(C)C>C(Cl)Cl>[C:1]([NH:4][C:5]1[CH:6]=[C:7]2[C:11](=[CH:12][CH:13]=1)[C:10]1([C:17](=[O:18])[N:16]([CH2:19][C:20]([N:31]([CH2:24][C:25]3[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=3)[C@H:32]([CH:34]3[CH2:36][CH2:35]3)[CH3:33])=[O:21])[C:15](=[O:23])[NH:14]1)[CH2:9][CH2:8]2)(=[O:3])[CH3:2] | 2 |
[CH3:1][S:2]([NH:5][C:6]1[CH:7]=[C:8](B(O)O)[CH:9]=[CH:10][CH:11]=1)(=[O:4])=[O:3].Br[CH:16]=[C:17]1[C:23]2[CH:24]=[CH:25][C:26]([O:28][CH3:29])=[CH:27][C:22]=2[CH2:21][CH2:20][C:19]2[CH:30]=[C:31]([O:34][CH3:35])[CH:32]=[CH:33][C:18]1=2>>[CH3:35][O:34][C:31]1[CH:32]=[CH:33][C:18]2[C:17](=[CH:16][C:8]3[CH:7]=[C:6]([NH:5][S:2]([CH3:1])(=[O:4])=[O:3])[CH:11]=[CH:10][CH:9]=3)[C:23]3[CH:24]=[CH:25][C:26]([O:28][CH3:29])=[CH:27][C:22]=3[CH2:21][CH2:20][C:19]=2[CH:30]=1 | 1 |
[N+:1]([C:4]1[C:5](=[O:15])NC2C([C:13]=1[OH:14])=CC=CC=2)([O-:3])=[O:2].[Cl:16][C:17]1[CH:18]=[C:19]([CH:21]=[C:22]([Cl:24])[CH:23]=1)[NH2:20].C(OCC)(=O)CC(OCC)=O>>[Cl:16][C:17]1[CH:23]=[C:22]([Cl:24])[CH:21]=[C:19]2[C:18]=1[C:5]([OH:15])=[CH:4][C:13]([OH:14])=[N:20]2.[Cl:16][C:17]1[CH:23]=[C:22]([Cl:24])[CH:21]=[C:19]2[C:18]=1[C:5]([OH:15])=[C:4]([N+:1]([O-:3])=[O:2])[C:13](=[O:14])[NH:20]2 | 1 |
[NH2:1][C@H:2]([C:4]([N:6]1[CH:14]2[CH:9]([CH2:10][CH2:11][CH2:12][CH2:13]2)[CH2:8][C@H:7]1[C:15]([OH:17])=[O:16])=[O:5])[CH3:3].[C:18]([OH:23])(=[O:22])[C:19]([CH3:21])=O.C([BH3-])#N.[Na+]>>[C:18]([CH:19]([NH:1][C@H:2]([C:4]([N:6]1[CH:14]2[CH:9]([CH2:10][CH2:11][CH2:12][CH2:13]2)[CH2:8][C@H:7]1[C:15]([OH:17])=[O:16])=[O:5])[CH3:3])[CH3:21])([OH:23])=[O:22] | 1 |
[Cl:1][C:2]1[CH:11]=[C:10]([Cl:12])[CH:9]=[C:8]2[C:3]=1[C:4]([OH:18])=[C:5]([C:13]([O:15]CC)=[O:14])[CH:6]=[N:7]2.S(=O)(=O)(O)O>C(O)C>[Cl:1][C:2]1[CH:11]=[C:10]([Cl:12])[CH:9]=[C:8]2[C:3]=1[C:4]([OH:18])=[C:5]([C:13]([OH:15])=[O:14])[CH:6]=[N:7]2.[Cl:1][C:2]1[CH:11]=[C:10]([Cl:12])[CH:9]=[C:8]2[C:3]=1[C:4]([OH:18])=[CH:5][CH:6]=[N:7]2 | 1 |
[Br:1][C:2]1[C:3]([Cl:10])=[C:4]([CH2:8]O)[CH:5]=[N:6][CH:7]=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.[Br:30]N1C(=O)CCC1=O>C(Cl)Cl>[Br:1][C:2]1[CH:7]=[N:6][CH:5]=[C:4]([CH2:8][Br:30])[C:3]=1[Cl:10] | 1 |
C(C1=CC=CC=C1)OC1=C(C=CC(=C1)C=1SC=CN1)N1CC(NS1(=O)=O)=O>>OC1=C(C=CC(=C1)C=1SC=CN1)N1CC(NS1(=O)=O)=O | 5 |
NC1=NC=NC(=C1C=1C=C(C=CC1)NS(=O)(=O)C1=C(C=C(C=C1)OC)OC)N[C@@H](C)C1=NN2C(C(N1C1=CC=CC=C1)=O)=C(C=C2)C>ClCCl.B(Br)(Br)Br>NC1=NC=NC(=C1C=1C=C(C=CC1)NS(=O)(=O)C1=C(C=C(C=C1)O)O)N[C@@H](C)C1=NN2C(C(N1C1=CC=CC=C1)=O)=C(C=C2)C | 3 |
BrCC(C(F)(F)F)=O.C(C)OC(C(=S)N)=O>>C(C)OC(=O)C=1SC=C(N1)C(F)(F)F | 5 |
[OH:1][C:2]1[C:11]([C:12]([OH:14])=O)=[CH:10][C:9]2[C:4](=[CH:5][CH:6]=[C:7]([C:15]([OH:17])=O)[CH:8]=2)[CH:3]=1.[NH2:18][C:19]1[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=1.P(Cl)(Cl)Cl.C(=O)([O-])[O-].[Na+].[Na+]>C1(C)C(C)=CC=CC=1.O>[OH:1][C:2]1[C:11]([C:12]([NH:18][C:19]2[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=2)=[O:14])=[CH:10][C:9]2[C:4](=[CH:5][CH:6]=[C:7]([C:15]([NH:18][C:19]3[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=3)=[O:17])[CH:8]=2)[CH:3]=1 | 1 |
C[Si](C)(C)C=[N+]=[N-].OC1=C(C(=O)O)C=CC(=C1)I>>OC1=C(C(=O)OC)C=CC(=C1)I | 5 |
[C:1]1([CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][C:16]([OH:18])=O)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.Cl.Cl.[CH2:21]([O:28][C:29](=[O:37])[CH2:30][C@@H:31]([NH2:36])[CH2:32][N:33]([CH3:35])[CH3:34])[C:22]1[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=1>>[CH2:21]([O:28][C:29](=[O:37])[CH2:30][C@@H:31]([NH:36][C:16](=[O:18])[CH2:15][CH2:14][CH2:13][CH2:12][CH2:11][CH2:10][CH2:9][CH2:8][CH2:7][C:1]1[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=1)[CH2:32][N:33]([CH3:34])[CH3:35])[C:22]1[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=1 | 1 |
[CH3:1][O:2][CH2:3][CH2:4][CH2:5][N:6]1[C:10]2[CH:11]=[CH:12][CH:13]=[CH:14][C:9]=2[N:8]=[C:7]1[C@@H:15]1[CH2:20][CH2:19][CH2:18][NH:17][CH2:16]1.[C:21]([O:25][C:26]([NH:28][C@H:29]([CH2:34][C:35]1[CH:44]=[CH:43][C:42]2[C:37](=[CH:38][CH:39]=[CH:40][CH:41]=2)[CH:36]=1)[CH2:30][C:31](O)=[O:32])=[O:27])([CH3:24])([CH3:23])[CH3:22].CN1CCOCC1.CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F>CN(C=O)C>[CH3:1][O:2][CH2:3][CH2:4][CH2:5][N:6]1[C:10]2[CH:11]=[CH:12][CH:13]=[CH:14][C:9]=2[N:8]=[C:7]1[C@@H:15]1[CH2:20][CH2:19][CH2:18][N:17]([C:31](=[O:32])[CH2:30][C@H:29]([NH:28][C:26](=[O:27])[O:25][C:21]([CH3:22])([CH3:23])[CH3:24])[CH2:34][C:35]2[CH:44]=[CH:43][C:42]3[C:37](=[CH:38][CH:39]=[CH:40][CH:41]=3)[CH:36]=2)[CH2:16]1 | 1 |
C[Si](C)(C)C=[N+]=[N-].C(C1=CC=CC=C1)N1CCC(CC1)(O)COC1=CC=C(C=C1)C(=O)O>>C(C1=CC=CC=C1)N1CCC(CC1)(O)COC1=CC=C(C=C1)C(=O)OC | 5 |
BrC=1C=C(SC1)C(C)=O>N(C)(C)C=O.CO[H].CCN(CC)CC.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(C)(=O)C1=CC(=CS1)C(=O)OC | 3 |
C1(CC1)B(O)O>C1(=CC=CC=C1)C.O.[Pd+2].[O-]C(=O)C.[O-]C(=O)C.Cl.P(=O)([O-])([O-])[O-].[K+].[K+].[K+].F[B-](F)(F)F.[H][P+](C1CCCCC1)(C2CCCCC2)C3CCCCC3>C1(CC1)C=1C(=CC(=C(C(=O)NS(=O)(=O)CC)C1)F)OCC1CCC2(CC2)CC1 | 3 |
C(C)OC(C(C(=O)OCC)C=1C=C2C=NC=NC2=CC1)=O>CO[H].[OH-].[Na+]>N1=CN=CC2=CC(=CC=C12)CC(=O)O | 3 |
N(C(OCC)=O)=NC(OCC)=O.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.[CH2:32]([C:43]1[CH:44]=[N:45][C:46]([C:49]2[CH:54]=[CH:53][C:52]([OH:55])=[CH:51][CH:50]=2)=[N:47][CH:48]=1)[CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH3:42].[CH2:56]([CH:58]1[CH2:62][CH2:61][C:60]([CH2:63]O)=[CH:59]1)[CH3:57]>C1COCC1>[CH2:32]([C:43]1[CH:44]=[N:45][C:46]([C:49]2[CH:50]=[CH:51][C:52]([O:55][CH2:63][C:60]3[CH2:61][CH2:62][CH:58]([CH2:56][CH3:57])[CH:59]=3)=[CH:53][CH:54]=2)=[N:47][CH:48]=1)[CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH3:42] | 1 |
[CH2:1]([N:7]1[CH2:12][CH2:11][CH:10]([C:13]([NH2:15])=O)[CH2:9][CH2:8]1)[CH2:2][CH2:3][CH2:4][CH2:5][CH3:6].[H-].[H-].[H-].[H-].[Li+].[Al+3]>>[NH2:15][CH2:13][CH:10]1[CH2:11][CH2:12][N:7]([CH2:1][CH2:2][CH2:3][CH2:4][CH2:5][CH3:6])[CH2:8][CH2:9]1 | 1 |
[Cl:1][C:2]1[CH:13]=[C:12]([F:14])[C:11]([N:15]=[C:16]=[O:17])=[CH:10][C:3]=1[C:4]([O:6][CH:7]([CH3:9])[CH3:8])=[O:5].[NH2:18][C:19]1[O:20][CH2:21][CH2:22][C:23]=1[C:24]([O:26][CH2:27][CH3:28])=[O:25]>>[Cl:1][C:2]1[CH:13]=[C:12]([F:14])[C:11]([NH:15][C:16]([NH:18][C:19]2[O:20][CH2:21][CH2:22][C:23]=2[C:24]([O:26][CH2:27][CH3:28])=[O:25])=[O:17])=[CH:10][C:3]=1[C:4]([O:6][CH:7]([CH3:8])[CH3:9])=[O:5] | 1 |
CN(C1(CCC(CC1)CC(=O)NCCCCCCC1=CNC2=CC=CC=C12)C1=CC=CC=C1)C>CCO[H].Cl.C(C)C(=O)C>Cl.CN(C1(CCC(CC1)CC(=O)NCCCCCCC1=CNC2=CC=CC=C12)C1=CC=CC=C1)C | 3 |
C(C)(=O)OC(C)=O.CC1(OC2=C(C1)C=CC(=C2)C2=CC(=NC=N2)OC2=CC=CC1=C2N=C(S1)N)C>C1(=CC=CC=C1)C>CC1(OC2=C(C1)C=CC(=C2)C2=CC(=NC=N2)OC2=CC=CC1=C2N=C(S1)NC(C)=O)C | 3 |
NC1=NNC=N1.C(C)(C)C(C(=O)OCC)C(=O)OCC>C(CCC)N(CCCC)CCCC>OC1=NC=2N(C(=C1C(C)C)O)N=CN2 | 3 |
[CH2:1]([O:8][C:9](=[O:32])[NH:10][CH2:11][CH2:12][CH2:13][CH2:14][N:15]([CH2:17][C:18]1[CH:23]=[CH:22][C:21]([CH2:24][NH:25][CH2:26][C:27]2[NH:28][CH:29]=[CH:30][N:31]=2)=[CH:20][CH:19]=1)[CH3:16])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[CH3:33][N:34]1[CH:38]=[CH:37][N:36]=[C:35]1[CH:39]=O.C([BH3-])#N.[Na+].C(O)(=O)C>CO>[CH2:1]([O:8][C:9](=[O:32])[NH:10][CH2:11][CH2:12][CH2:13][CH2:14][N:15]([CH2:17][C:18]1[CH:19]=[CH:20][C:21]([CH2:24][N:25]([CH2:26][C:27]2[NH:31][CH:30]=[CH:29][N:28]=2)[CH2:39][C:35]2[N:34]([CH3:33])[CH:38]=[CH:37][N:36]=2)=[CH:22][CH:23]=1)[CH3:16])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 1 |
CN(C1CC2=CC=C(C=C2C1)[N+](=O)[O-])C>>NC=1C=C2CC(CC2=CC1)N(C)C | 5 |
O1C(CCCC1)OCCCO.ClC1=C(C=C2C(=N1)CN(C2)CC2=CC=C(C=C2)OC)OC>N(C)(C)C=O.[H-].[Na+]>COC=1C=C2C(=NC1OCCCOC1OCCCC1)CN(C2)CC2=CC=C(C=C2)OC | 3 |
[CH2:1]([N:5]1[CH2:9][C:8](=O)[CH:7](C(OCC)=O)[C:6]1=[O:16])[CH2:2][CH2:3][CH3:4].[NH2:17][C:18]1[N:22]([CH2:23][CH2:24][C:25]#[C:26][CH3:27])[N:21]=[CH:20][C:19]=1[C:28]#[N:29].C1(C)C=CC(S(O)(=O)=O)=CC=1>C(#N)C.C1(C)C=CC=CC=1>[NH2:29][C:28]1[C:7]2[C:6](=[O:16])[N:5]([CH2:1][CH2:2][CH2:3][CH3:4])[CH2:9][C:8]=2[N:17]=[C:18]2[N:22]([CH2:23][CH2:24][C:25]#[C:26][CH3:27])[N:21]=[CH:20][C:19]=12 | 1 |
[F:1][C:2]1[CH:7]=[CH:6][C:5]([NH:8][C:9]2[N:14]=[C:13]([NH:15][CH:16]3[CH2:21][CH2:20][N:19]([S:22]([CH3:25])(=[O:24])=[O:23])[CH2:18][CH2:17]3)[N:12]=[C:11]([O:26][CH2:27][C:28]([F:31])([F:30])[F:29])[N:10]=2)=[CH:4][C:3]=1[C:32]([N:34]1[CH2:39][CH2:38][O:37][CH2:36][CH2:35]1)=O.C1COCC1>O.C(OCC)(=O)C>[F:1][C:2]1[CH:7]=[CH:6][C:5]([NH:8][C:9]2[N:14]=[C:13]([NH:15][CH:16]3[CH2:17][CH2:18][N:19]([S:22]([CH3:25])(=[O:23])=[O:24])[CH2:20][CH2:21]3)[N:12]=[C:11]([O:26][CH2:27][C:28]([F:29])([F:30])[F:31])[N:10]=2)=[CH:4][C:3]=1[CH2:32][N:34]1[CH2:35][CH2:36][O:37][CH2:38][CH2:39]1 | 2 |
[C:1]([O:5][C:6](=[O:15])[NH:7][C@H:8]1[CH2:13][CH2:12][C@H:11]([OH:14])[CH2:10][CH2:9]1)([CH3:4])([CH3:3])[CH3:2].C(N(CC)CC)C.[CH3:23][S:24](Cl)(=[O:26])=[O:25]>C(Cl)Cl>[CH3:23][S:24]([O:14][C@H:11]1[CH2:10][CH2:9][C@H:8]([NH:7][C:6]([O:5][C:1]([CH3:4])([CH3:2])[CH3:3])=[O:15])[CH2:13][CH2:12]1)(=[O:26])=[O:25] | 2 |
[F:1][C:2]([F:25])([C:21]([F:24])([F:23])[F:22])[C:3](=O)[CH:4]=[CH:5][C:6]1[CH:7]=[C:8]([C:12]2[CH:17]=[CH:16][C:15]([S:18][CH3:19])=[CH:14][CH:13]=2)[CH:9]=[CH:10][CH:11]=1.Cl.[Cl:27][C:28]1[CH:29]=[C:30]([NH:34][NH2:35])[CH:31]=[CH:32][CH:33]=1>>[Cl:27][C:28]1[CH:29]=[C:30]([N:34]2[CH:5]([C:6]3[CH:7]=[C:8]([C:12]4[CH:17]=[CH:16][C:15]([S:18][CH3:19])=[CH:14][CH:13]=4)[CH:9]=[CH:10][CH:11]=3)[CH2:4][C:3]([C:2]([F:25])([F:1])[C:21]([F:24])([F:23])[F:22])=[N:35]2)[CH:31]=[CH:32][CH:33]=1 | 1 |
BrC1=C(C=C(C=C1)OC)Cl.C(C)OC(C1=C(C=CC=C1)B1OC(C(O1)(C)C)(C)C)=O>>ClC1=C(C=CC(=C1)OC)C=1C(=CC=CC1)C(=O)OCC | 5 |
BrCC1=CC=C(C=C1)OC(F)(F)F.CC1=NOC(=C1C=1C(=CC=2C3=C(C=NC2C1)OC(N3)=O)OC)C>N(C)(C)C=O.[I-].C(CCC)[N+](CCCC)(CCCC)CCCC.C(=O)([O-])[O-].[Cs+].[Cs+]>CC1=NOC(=C1C=1C(=CC=2C3=C(C=NC2C1)OC(N3CC3=CC=C(C=C3)OC(F)(F)F)=O)OC)C | 3 |
IC=1N(C=2C=CC=C(C2C1)NC1CCN(CC1)C)CC(F)(F)F.BrC1=NN(C(=C1)C=O)COCC[Si](C)(C)C>O.C([O-])([O-])=O.[K+].[K+].CN(C1=CC=CC=C1)C.B1(OC(C(O1)(C)C)(C)C)B2OC(C(O2)(C)C)(C)C.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]>CN1CCC(CC1)NC1=C2C=C(N(C2=CC=C1)CC(F)(F)F)C1=NN(C(=C1)C=O)COCC[Si](C)(C)C | 3 |
S(Cl)([Cl:3])=O.[CH3:5][O:6][C:7]1[CH:8]=[C:9]2[C:14](=[CH:15][CH:16]=1)[CH:13]=[C:12]([S:17]([O-:20])(=O)=[O:18])[CH:11]=[CH:10]2.O>CN(C=O)C>[CH3:5][O:6][C:7]1[CH:8]=[C:9]2[C:14](=[CH:15][CH:16]=1)[CH:13]=[C:12]([S:17]([Cl:3])(=[O:20])=[O:18])[CH:11]=[CH:10]2 | 1 |
ClC=1C(=C(C(N(N1)C)=O)CC(=O)NC1(CN(CC1)C(=O)OC(C)(C)C)C(F)(F)F)C=O>C(C)(=O)O>ClC1=NN(C(C=2C1=CN(C(C2)=O)C2(CN(CC2)C(=O)OC(C)(C)C)C(F)(F)F)=O)C | 3 |
BrC1C=CC([C@@H]([N:10]2[CH2:15][CH2:14][C@:13](CC(O)(C)C)([C:16]3[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=3)[O:12][C:11]2=[O:27])C)=CC=1.COC1C=C(B2OC(C)(C)C(C)(C)O2)C=CN=1>C1C=CC(P(C2C=CC=CC=2)[C-]2C=CC=C2)=CC=1.C1C=CC(P(C2C=CC=CC=2)[C-]2C=CC=C2)=CC=1.Cl[Pd]Cl.[Fe+2]>[C:16]1([CH:13]2[O:12][C:11](=[O:27])[NH:10][CH2:15][CH2:14]2)[CH:17]=[CH:18][CH:19]=[CH:20][CH:21]=1 | 1 |
C(C1=CC=CC=C1)N=C=O.COC1=C(C=CC=C1)N1CCC(CC1)(C1=CC(=CC=C1)OC)CO>>C(C1=CC=CC=C1)NC(OCC1(CCN(CC1)C1=C(C=CC=C1)OC)C1=CC(=CC=C1)OC)=O | 5 |
COC[C@@H](OC=1C=C(C=C(C1)OC=1C=NC(=CC1)S(=O)(=O)C)C1=CC=C(N1)C(=O)O)C>O.ClCCl.OC1=CC=CC=2NN=NC21.Cl.CN(CCCN=C=NCC)C.CN1CCOCC1>OC[C@@H](C)NC(=O)C=1NC(=CC1)C1=CC(=CC(=C1)OC=1C=NC(=CC1)S(=O)(=O)C)O[C@H](COC)C | 3 |
Cl[C:2]1[CH:7]=[CH:6][C:5]([N:8]2[C:12]([C:13]3[C:18]([F:19])=[CH:17][C:16](F)=[CH:15][C:14]=3[F:21])=[C:11]([Cl:22])[N:10]=[C:9]2[CH3:23])=[CH:4][N:3]=1.[CH3:24][O-:25].[Na+].[C:27](OCC)(=[O:29])C.O>O1CCCC1.CO>[Cl:22][C:11]1[N:10]=[C:9]([CH3:23])[N:8]([C:5]2[CH:6]=[CH:7][C:2]([O:25][CH3:24])=[N:3][CH:4]=2)[C:12]=1[C:13]1[C:18]([F:19])=[CH:17][C:16]([O:29][CH3:27])=[CH:15][C:14]=1[F:21] | 2 |
FC(F)(F)S([O:6][S:7]([C:10]([F:13])([F:12])[F:11])(=[O:9])=[O:8])(=O)=O.[CH2:16]([O:18][C:19]([C@:21]1([N:34]=[N+:35]=[N-:36])[C@@H:26](O)[CH2:25][C@@H:24]2[C@H:22]1[C@@:23]2([F:33])[C:28]([O:30][CH2:31][CH3:32])=[O:29])=[O:20])[CH3:17].N1C=CC=CC=1.C(OCC)C>ClCCl>[CH2:16]([O:18][C:19]([C@:21]1([N:34]=[N+:35]=[N-:36])[C@@H:26]([O:6][S:7]([C:10]([F:11])([F:12])[F:13])(=[O:8])=[O:9])[CH2:25][C@@H:24]2[C@H:22]1[C@@:23]2([F:33])[C:28]([O:30][CH2:31][CH3:32])=[O:29])=[O:20])[CH3:17] | 1 |
[H-].[Na+].[N+:3]([C:6]1[CH:14]=[CH:13][CH:12]=[C:11]2[C:7]=1[CH:8]=[CH:9][NH:10]2)([O-:5])=[O:4].Cl[CH2:16][C:17]1[CH:33]=[CH:32][C:20]([O:21][Si:22]([CH:29]([CH3:31])[CH3:30])([CH:26]([CH3:28])[CH3:27])[CH:23]([CH3:25])[CH3:24])=[C:19]([CH:34]([CH3:36])[CH3:35])[CH:18]=1>CN(C)C=O>[CH:34]([C:19]1[CH:18]=[C:17]([CH:33]=[CH:32][C:20]=1[O:21][Si:22]([CH:29]([CH3:31])[CH3:30])([CH:26]([CH3:28])[CH3:27])[CH:23]([CH3:25])[CH3:24])[CH2:16][N:10]1[C:11]2[C:7](=[C:6]([N+:3]([O-:5])=[O:4])[CH:14]=[CH:13][CH:12]=2)[CH:8]=[CH:9]1)([CH3:36])[CH3:35] | 2 |
[CH3:1][C:2]1[S:6][C:5]([C:7]2[CH:12]=[CH:11][CH:10]=[CH:9][N:8]=2)=[N:4][C:3]=1OS(C(F)(F)F)(=O)=O.[C:21]1([S:27]([N:30]2[C:38]3[C:33](=[CH:34][C:35](B4OC(C)(C)C(C)(C)O4)=[CH:36][CH:37]=3)[CH:32]=[C:31]2[C:48]2[CH:53]=[CH:52][CH:51]=[CH:50][C:49]=2[CH3:54])(=[O:29])=[O:28])[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=1.C([O-])([O-])=O.[K+].[K+]>O1CCOCC1.C1C=CC(P(C2C=CC=CC=2)[C-]2C=CC=C2)=CC=1.C1C=CC(P(C2C=CC=CC=2)[C-]2C=CC=C2)=CC=1.Cl[Pd]Cl.[Fe+2]>[C:21]1([S:27]([N:30]2[C:38]3[C:33](=[CH:34][C:35]([C:3]4[N:4]=[C:5]([C:7]5[CH:12]=[CH:11][CH:10]=[CH:9][N:8]=5)[S:6][C:2]=4[CH3:1])=[CH:36][CH:37]=3)[CH:32]=[C:31]2[C:48]2[CH:53]=[CH:52][CH:51]=[CH:50][C:49]=2[CH3:54])(=[O:28])=[O:29])[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=1 | 2 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C@H:8]2[C@@H:12]([C:13]3[CH:18]=[CH:17][C:16]([Cl:19])=[CH:15][CH:14]=3)[N:11]([C:20](Cl)=[O:21])[C:10]([C:23]3[S:24][CH:25]=[CH:26][C:27]=3[O:28][CH2:29][CH3:30])=[N:9]2)=[CH:4][CH:3]=1.[CH3:31][C:32]1[C:36]([C:37]([N:39]2[CH2:44][CH2:43][NH:42][CH2:41][CH2:40]2)=[O:38])=[C:35]([CH3:45])[O:34][N:33]=1>>[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C@H:8]2[C@@H:12]([C:13]3[CH:18]=[CH:17][C:16]([Cl:19])=[CH:15][CH:14]=3)[N:11]([C:20]([N:42]3[CH2:43][CH2:44][N:39]([C:37]([C:36]4[C:32]([CH3:31])=[N:33][O:34][C:35]=4[CH3:45])=[O:38])[CH2:40][CH2:41]3)=[O:21])[C:10]([C:23]3[S:24][CH:25]=[CH:26][C:27]=3[O:28][CH2:29][CH3:30])=[N:9]2)=[CH:4][CH:3]=1 | 1 |
ClC1=NC(=NC=2C3=C(C=CC12)OC(O3)(F)F)Cl.OCCC(=O)NN>>ClC1=NC=2C3=C(C=CC2C(=N1)NNC(CCO)=O)OC(O3)(F)F | 5 |
O.[Y:2].OC1C=C[C:7]([C:8]([OH:10])=[O:9])=CC=1>C(O)CC.CCCO.CCCO.CCCO.CCCO.[Zr]>[C:8]([O-:10])(=[O:9])[CH3:7].[Y+3:2].[C:8]([O-:10])(=[O:9])[CH3:7].[C:8]([O-:10])(=[O:9])[CH3:7] | 1 |
FC(CO)CF.C(C)(C)(C)OC(NCC1=CC(=NC=C1)Cl)=O>C1(=CC=CC=C1)C.Cl.C(C)(=O)OCC.C(=O)([O-])[O-].[Cs+].[Cs+].CC(C)C1=CC(=C(C(=C1)C(C)C)C2=C(C=CC(=C2P(C(C)(C)C)C(C)(C)C)OC)OC)C(C)C.CS(=O)(=O)[O-].C1=CC=C([C-]=C1)C2=CC=CC=C2N.[Pd+2]>FC(COC1=NC=CC(=C1)CNC(OC(C)(C)C)=O)CF.Cl.Cl.FC(COC1=NC=CC(=C1)CN)CF | 3 |
COC(=O)[C@H]1N(C[C@H](C1)NC1=CC(=CC=C1)Cl)C(=O)OC(C)(C)C>>C(C)(C)(C)OC(=O)N1[C@@H](C[C@@H](C1)NC1=CC(=CC=C1)Cl)C(=O)O | 5 |
FC(C1=CC=C(C=C1)[Mg]Br)(F)F.C(C)(C)(C)OC(CC1C(N(C=CC1=O)C(=O)OCC1=CC=CC=C1)C1=CC=C(C=C1)C(F)(F)F)=O>[Cu]I.C1CCCO1>C(C)(C)(C)OC(CC1C(N(C(CC1=O)C1=CC=C(C=C1)C(F)(F)F)C(=O)OCC1=CC=CC=C1)C1=CC=C(C=C1)C(F)(F)F)=O | 3 |
S1C2CCC(C([O-])=O)NC=2N=C1.[N:13]([CH2:16][CH2:17][CH2:18][C:19]1([C:35]2[CH:40]=[CH:39][CH:38]=[CH:37][CH:36]=2)[N:23]([C:24](=[S:26])[NH2:25])[N:22]=[C:21]([C:27]2[CH:32]=[C:31]([F:33])[CH:30]=[CH:29][C:28]=2[F:34])[S:20]1)=[N+]=[N-].Br[CH:42]1[C:47](=O)[CH2:46][CH2:45][N:44]([C:49](OC(C)(C)C)=O)[CH2:43]1.CCN(C(C)C)C(C)C>C(O)C>[F:34][C:28]1[CH:29]=[CH:30][C:31]([F:33])=[CH:32][C:27]=1[C:21]1[S:20][C:19]([CH2:18][CH2:17][CH2:16][NH2:13])([C:35]2[CH:40]=[CH:39][CH:38]=[CH:37][CH:36]=2)[N:23]([C:24]2[S:26][C:42]3[CH2:43][N:44]([CH3:49])[CH2:45][CH2:46][C:47]=3[N:25]=2)[N:22]=1 | 1 |
CN.C1CCOC1.COC1=C(OC2=C(C=C(C#N)C=C2)C(F)(F)F)C=CC(=C1)\C=C/1\C(NC(S1)=O)=S>>COC1=C(OC2=C(C=C(C#N)C=C2)C(F)(F)F)C=CC(=C1)\C=C/1\C(=NC(S1)=O)NC | 5 |
C[Al](C)C.[CH3:5][N:6]([CH2:17][C:18]1[N:22]([CH2:23][C:24](OC)=[O:25])[C:21]2[CH:28]=[CH:29][CH:30]=[CH:31][C:20]=2[N:19]=1)[CH:7]1[C:16]2[N:15]=[CH:14][CH:13]=[CH:12][C:11]=2[CH2:10][CH2:9][CH2:8]1.[NH2:32][CH2:33][C:34]1[CH:39]=[CH:38][N:37]=[CH:36][CH:35]=1>ClCCl.C1(C)C=CC=CC=1>[CH3:5][N:6]([CH2:17][C:18]1[N:22]([CH2:23][C:24]([NH:32][CH2:33][C:34]2[CH:39]=[CH:38][N:37]=[CH:36][CH:35]=2)=[O:25])[C:21]2[CH:28]=[CH:29][CH:30]=[CH:31][C:20]=2[N:19]=1)[CH:7]1[C:16]2[N:15]=[CH:14][CH:13]=[CH:12][C:11]=2[CH2:10][CH2:9][CH2:8]1 | 2 |
C(C)(C)(C)OC(=O)N[C@@H](C(=O)O)C1CCC(CC1)O>O.Br.N(=O)[O-].[Na+]>Br[C@@H](C(=O)O)C1CCC(CC1)O | 3 |
COCOC1=C(C(=O)OC)C=CC(=C1)C=1N(C=C(N1)C(F)(F)F)C>O.C1CCCO1.[H-].[Al+3].[Li+].[H-].[H-].[H-]>COCOC1=C(C=CC(=C1)C=1N(C=C(N1)C(F)(F)F)C)CO | 3 |
N=1N=C(NC1)C1=CC=CC2=C1NC(C1=CC=NC=C21)=O>CC#N.P(=O)(Cl)(Cl)Cl>ClC1=NC2=C(C3=CN=CC=C13)C=CC=C2C2=NN=CN2 | 3 |
ClC1=CC(=CS1)N/C(=N/C#N)/SC>CCO[H].NN>ClC1=CC(=CS1)NC1=NNC(=N1)N | 3 |
O1N=CC=C1C(=O)C1C(CCCC2=C1C=CC(=C2)N2C(O[C@H](C2)CNC(C)=O)=O)=O>>O1N=CC=C1C1=NNC=2CCCC3=C(C12)C=CC(=C3)N3C(O[C@H](C3)CNC(C)=O)=O | 5 |
FC(C1=CC=C(C=C2CCN(CC2)C(=O)OC(C)(C)C)C=C1)(F)F>CO[H].[HH].[Pd]>FC(C1=CC=C(CC2CCN(CC2)C(=O)OC(C)(C)C)C=C1)(F)F | 3 |
C(C1=CC=CC=C1)(=O)N=C=S.COC=1C=C2C=CC=NC2=C(C1)N>>COC=1C=C2C=CC=NC2=C(C1)NC(=S)N | 5 |
[S:1]1[CH:5]=[CH:4][N:3]=[C:2]1[CH2:6][N:7]1[C:15]2[C:10](=[CH:11][C:12]([NH:16][C:17]3[C:26]4[C:21](=[CH:22][CH:23]=[CH:24][C:25]=4[O:27][C@H:28]([CH3:33])[C:29](OC)=[O:30])[N:20]=[CH:19][N:18]=3)=[CH:13][CH:14]=2)[CH:9]=[N:8]1.[CH3:34][NH2:35]>>[CH3:34][NH:35][C:29](=[O:30])[C@H:28]([O:27][C:25]1[CH:24]=[CH:23][CH:22]=[C:21]2[C:26]=1[C:17]([NH:16][C:12]1[CH:11]=[C:10]3[C:15](=[CH:14][CH:13]=1)[N:7]([CH2:6][C:2]1[S:1][CH:5]=[CH:4][N:3]=1)[N:8]=[CH:9]3)=[N:18][CH:19]=[N:20]2)[CH3:33] | 1 |
CC(C)S.ClCC1=CC2=C(N(C(=N2)CC(C)(C)C)CC2CC2)C=C1>N(C)(C)C=O.[H-].[Na+]>C1(CC1)CN1C(=NC2=C1C=CC(=C2)CSC(C)C)CC(C)(C)C | 3 |
C1(O)=CC(O)=CC=C1.ClCC(CC(=O)OCC)=O>>ClCC1=CC(OC2=CC(=CC=C12)O)=O | 5 |
ClC1=C(C=C(C=C1OC)OC)C1=CC2=C(N=C(N=C2)SC)N(C1=O)CCCN1CCN(CC1)C(=O)OC(C)(C)C>ClCCl.ClC=1C=C(C(=O)OO)C=CC1>C(C)(C)(C)OC(=O)N1CC[N+](CC1)(CCCN1C(C(=CC2=C1N=C(N=C2)S(=O)C)C2=C(C(=CC(=C2)OC)OC)Cl)=O)[O-] | 3 |
ClC=1C=C(C(=O)NC(CC2=C(C=C(C=C2)C)C)CON2C(C3=CC=CC=C3C2=O)=O)C(=CN1)OC1=CC(=CC=C1)C(F)(F)F>CO[H].ClCCl.O.NN>NOCC(CC1=C(C=C(C=C1)C)C)NC(C1=CC(=NC=C1OC1=CC(=CC=C1)C(F)(F)F)Cl)=O | 3 |
COC=1C=C(C=CC1OC)CCNC(C(=COCC#C)C1=CC=2CCCCC2C=C1)=O>>ClC#CCOC=C(C(=O)NCCC1=CC(=C(C=C1)OC)OC)C1=CC=2CCCCC2C=C1 | 5 |
C([N:4]1[CH2:8][CH:7]([C:9]2[CH:13]=[CH:12][S:11][CH:10]=2)[CH:6]([CH2:14][N:15]2[CH2:20][CH2:19][CH:18]([C:21]3[CH:26]=[CH:25][C:24]([F:27])=[CH:23][CH:22]=3)[CH2:17][CH2:16]2)[CH2:5]1)C=C.CC#N>C1C=CC(P(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1.C1C=CC(P(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1.C1C=CC(P(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1.[Cl-].[Rh].O>[F:27][C:24]1[CH:25]=[CH:26][C:21]([CH:18]2[CH2:17][CH2:16][N:15]([CH2:14][CH:6]3[CH:7]([C:9]4[CH:13]=[CH:12][S:11][CH:10]=4)[CH2:8][NH:4][CH2:5]3)[CH2:20][CH2:19]2)=[CH:22][CH:23]=1 | 1 |
CC1(OB(OC1(C)C)C=C1CCN(CC1)C(=O)OC(C)(C)C)C>O.C1CCCO1.[I-].[Na+].C[Si](C(F)(F)F)(C)C>FC1(C(C12CCN(CC2)C(=O)OC(C)(C)C)B2OC(C(O2)(C)C)(C)C)F | 3 |
C1(=CC=CC=C1)COC1=C2C=NNC2=CC=C1.FC=1C=C(C=C(C1OCC1=CC=CC=C1)F)B(O)O>>FC=1C=C(C=C(C1OCC1=CC=CC=C1)F)N1N=CC2=C(C=CC=C12)OCC1=CC=CC=C1 | 5 |
COC(=O)C=1N=NN(C1)C1C=C(C2OC(OC21)(C)C)COC(C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2>CO[H].N>CC1(OC2C(O1)C(=CC2N2N=NC(=C2)C(=O)N)COC(C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C | 3 |
[Si:1]([O:18][C@H:19]1[C:24](=[CH2:25])[C@@H:23]([F:26])[CH2:22]/[C:21](=[CH:27]\[C:28](OCC)=[O:29])/[CH2:20]1)([C:14]([CH3:17])([CH3:16])[CH3:15])([C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[H-].C([Al+]CC(C)C)C(C)C>ClCCl.C1(C)C=CC=CC=1>[Si:1]([O:18][C@H:19]1[C:24](=[CH2:25])[C@@H:23]([F:26])[CH2:22]/[C:21](=[CH:27]\[CH2:28][OH:29])/[CH2:20]1)([C:14]([CH3:17])([CH3:16])[CH3:15])([C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1)[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1 | 1 |
ClC=1C=C2C(=CC1)N(CC21CCN(CC1)C(=O)OC(C)(C)C)C=1C2=C(N=CN1)[C@@H](C[C@H]2C)OC(C2=CC=C(C=C2)[N+](=O)[O-])=O>O.C1CCCO1.O[Li].O>ClC=1C=C2C(=CC1)N(CC21CCN(CC1)C(=O)OC(C)(C)C)C=1C2=C(N=CN1)[C@@H](C[C@H]2C)O | 3 |
C(=O)C=1N=CSC1.N[C@H](C(=O)NC1=CN=C(S1)C1=CC=NC=C1)CC1=CC=C(C=C1)F>>FC1=CC=C(C=C1)C[C@@H](C(=O)NC1=CN=C(S1)C1=CC=NC=C1)NCC=1N=CSC1 | 5 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[N:12]([CH3:13])[C:11]([C:14](=[O:19])[CH2:15][CH:16]3[CH2:18][CH2:17]3)=[CH:10][C:9]=2[CH3:20])=[CH:4][CH:3]=1.BrBr.[Br:23]N1C(=O)CCC1=O.P(Br)(Br)Br>>[Br:23][C:10]1[C:9]([CH3:20])=[C:8]([C:5]2[CH:6]=[CH:7][C:2]([Cl:1])=[CH:3][CH:4]=2)[N:12]([CH3:13])[C:11]=1[C:14](=[O:19])[CH2:15][CH:16]1[CH2:17][CH2:18]1 | 1 |
[Cl:1][C:2]([F:8])(I)[C:3]([F:6])([F:5])[Cl:4].[CH2:9]([Si](C)(C)C)[CH:10]=[CH2:11].N(C(C)(C)C#N)=NC(C)(C)C#N>>[Cl:1][C:2]([F:8])([C:3]([Cl:4])([F:6])[F:5])[CH2:11][CH:10]=[CH2:9] | 1 |
[CH3:1][C@@:2]12[C:8]([CH3:10])([CH3:9])[C@@H:5]([CH2:6][CH2:7]1)[C:4](=O)[C:3]2=O.COP([CH2:19][C:20]([C:22]1[N:23]([CH3:27])[CH:24]=[CH:25][CH:26]=1)=O)(=O)OC.O.[NH2:29][NH2:30]>>[CH3:1][C@@:2]12[C:8]([CH3:10])([CH3:9])[C@@H:5]([CH2:6][CH2:7]1)[C:4]1[C:3]2=[N:29][N:30]=[C:20]([C:22]2[N:23]([CH3:27])[CH:24]=[CH:25][CH:26]=2)[CH:19]=1 | 1 |
[CH2:1]([C:3]1[CH:8]=[CH:7][CH:6]=[C:5]([CH2:9][CH3:10])[C:4]=1[C:11]1[N:16]=[C:15]([N:17]2[CH2:26][CH2:25][C:20]3(OCC[O:21]3)[CH2:19][CH2:18]2)[C:14]([CH2:27][N:28]([CH3:39])[C@@H:29]2[C:38]3[C:33](=[CH:34][CH:35]=[CH:36][CH:37]=3)[CH2:32][CH2:31][CH2:30]2)=[C:13]([CH3:40])[N:12]=1)[CH3:2].Cl.[OH-].[Na+]>CCOC(C)=O>[CH2:1]([C:3]1[CH:8]=[CH:7][CH:6]=[C:5]([CH2:9][CH3:10])[C:4]=1[C:11]1[N:16]=[C:15]([N:17]2[CH2:26][CH2:25][C:20](=[O:21])[CH2:19][CH2:18]2)[C:14]([CH2:27][N:28]([CH3:39])[C@@H:29]2[C:38]3[C:33](=[CH:34][CH:35]=[CH:36][CH:37]=3)[CH2:32][CH2:31][CH2:30]2)=[C:13]([CH3:40])[N:12]=1)[CH3:2] | 1 |
[C:1]1([C:7](=O)[CH3:8])[CH2:6][CH2:5][CH2:4][CH2:3][CH:2]=1.[CH3:10][O:11][NH2:12]>C(O)(=O)C>[CH3:10][O:11][N:12]=[C:7]([C:1]1[CH2:6][CH2:5][CH2:4][CH2:3][CH:2]=1)[CH3:8] | 1 |
FC=1C=C(N)C=CC1.ClCCOC(=O)Cl>ClCCl.c1ccncc1>FC=1C=C(C=CC1)NCCO | 3 |
C(C)(=O)OC(C)=O.N1C(=CC2=CC=CC=C12)C=1C(=CC(=C(C1)/C=C/C(=O)C1=CC=C(C=C1)S(=O)(=O)N)OC)OC>C1CCCO1.C1(=CC=NC=C1)N(C)C.CCN(CC)CC>C(C)(=O)NS(=O)(=O)C1=CC=C(C=C1)C(\C=C\C1=C(C=C(C(=C1)C=1NC2=CC=CC=C2C1)OC)OC)=O | 3 |
C1=CC(=CC=C1C(=O)CBr)O.C(C1=CC=CC=C1)C1(CC2(CNC2)C1)O>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>C(C1=CC=CC=C1)C1(CC2(CN(C2)CC(=O)C2=CC=C(C=C2)O)C1)O | 3 |
[N+:1]([C:4]1[CH:11]=[CH:10][C:7]([CH:8]=[O:9])=[CH:6][CH:5]=1)([O-:3])=[O:2].[C:12]([OH:16])([CH3:15])([CH3:14])[CH3:13]>>[N+:1]([C:4]1[CH:5]=[CH:6][C:7]([C:8]([O:16][C:12]([CH3:15])([CH3:14])[CH3:13])=[O:9])=[CH:10][CH:11]=1)([O-:3])=[O:2] | 1 |
BrCC(=O)OC(C)(C)C.C(C1=CC=CC=C1)OC1=CC(NC=C1)=O>CC(C)(C)[O-].[K+].O.C1CCCO1.[N+](CCCC)(CCCC)(CCCC)CCCC.[Br-]>C(C1=CC=CC=C1)OC1=CC(N(C=C1)CC(=O)OC(C)(C)C)=O | 3 |
Cl[C:2]1[CH:10]=[CH:9][C:5]([C:6]([NH2:8])=[O:7])=[C:4]([O:11][C:12]2[CH:17]=[CH:16][C:15]([O:18][C:19]3[CH:24]=[CH:23][CH:22]=[C:21]([C:25]#[N:26])[CH:20]=3)=[CH:14][CH:13]=2)[N:3]=1.[C:27]([O:31][C:32]([N:34]1[CH2:38][CH:37]=[C:36](B2OC(C)(C)C(C)(C)O2)[CH2:35]1)=[O:33])([CH3:30])([CH3:29])[CH3:28].C(=O)([O-])[O-].[Cs+].[Cs+]>O1CCOCC1.O.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>[C:27]([O:31][C:32]([N:34]1[CH2:38][CH:37]=[C:36]([C:2]2[CH:10]=[CH:9][C:5]([C:6](=[O:7])[NH2:8])=[C:4]([O:11][C:12]3[CH:17]=[CH:16][C:15]([O:18][C:19]4[CH:24]=[CH:23][CH:22]=[C:21]([C:25]#[N:26])[CH:20]=4)=[CH:14][CH:13]=3)[N:3]=2)[CH2:35]1)=[O:33])([CH3:30])([CH3:28])[CH3:29] | 2 |
CC=1C(=NC=C(C1)OCC#C)C(=O)OC>O.C1CCCO1.Cl.O[Li].O>CC=1C(=NC=C(C1)OCC#C)C(=O)O | 3 |
[C:1]([C:5]1[CH:6]=[C:7]([NH:29][C:30]([NH:32][C@@H:33]2[C:42]3[C:37](=[CH:38][CH:39]=[CH:40][CH:41]=3)[C@H:36]([O:43][C:44]3[CH:45]=[CH:46][C:47]4[N:48]([C:50]([N:53]5[CH2:58][CH2:57][CH2:56][CH2:55][C@@H:54]5[CH3:59])=[N:51][N:52]=4)[CH:49]=3)[CH2:35][CH2:34]2)=[O:31])[N:8]([C:10]2[CH:15]=[CH:14][C:13]([O:16][Si:17]([CH:24]([CH3:26])[CH3:25])([CH:21]([CH3:23])[CH3:22])[CH:18]([CH3:20])[CH3:19])=[C:12]([CH2:27]O)[CH:11]=2)[N:9]=1)([CH3:4])([CH3:3])[CH3:2].CCN(C(C)C)C(C)C.CS([Cl:73])(=O)=O.C(=O)(O)[O-].[Na+]>C(Cl)Cl>[C:1]([C:5]1[CH:6]=[C:7]([NH:29][C:30]([NH:32][C@@H:33]2[C:42]3[C:37](=[CH:38][CH:39]=[CH:40][CH:41]=3)[C@H:36]([O:43][C:44]3[CH:45]=[CH:46][C:47]4[N:48]([C:50]([N:53]5[CH2:58][CH2:57][CH2:56][CH2:55][C@@H:54]5[CH3:59])=[N:51][N:52]=4)[CH:49]=3)[CH2:35][CH2:34]2)=[O:31])[N:8]([C:10]2[CH:15]=[CH:14][C:13]([O:16][Si:17]([CH:24]([CH3:26])[CH3:25])([CH:21]([CH3:23])[CH3:22])[CH:18]([CH3:20])[CH3:19])=[C:12]([CH2:27][Cl:73])[CH:11]=2)[N:9]=1)([CH3:4])([CH3:3])[CH3:2] | 1 |
[F:1][C:2]1[CH:3]=[C:4]([CH:11]=[CH:12][C:13]=1[O:14][CH:15]([CH3:17])[CH3:16])[C:5]([O:7]C(C)C)=[O:6].[OH-].[Na+].[Cl-].[NH4+]>CO>[F:1][C:2]1[CH:3]=[C:4]([CH:11]=[CH:12][C:13]=1[O:14][CH:15]([CH3:17])[CH3:16])[C:5]([OH:7])=[O:6] | 1 |
CC1=CC=CC(N1CCC1=CC=C(C(=O)OC)C=C1)=O>>BrC=1C=CC(N(C1C)CCC1=CC=C(C(=O)OC)C=C1)=O | 5 |
[CH2:1]([O:8][C:9]1[CH:10]=[C:11]([CH2:23][C:24]([O:26][CH3:27])=[O:25])[CH:12]=[C:13](OS(C(F)(F)F)(=O)=O)[CH:14]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[F:28][C:29]([F:40])([F:39])[C:30]1[CH:35]=[CH:34][C:33](B(O)O)=[CH:32][CH:31]=1.C(=O)([O-])[O-].[Cs+].[Cs+].O>O1CCOCC1>[CH2:1]([O:8][C:9]1[CH:10]=[C:11]([CH2:23][C:24]([O:26][CH3:27])=[O:25])[CH:12]=[C:13]([C:33]2[CH:34]=[CH:35][C:30]([C:29]([F:40])([F:39])[F:28])=[CH:31][CH:32]=2)[CH:14]=1)[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1 | 2 |
C(SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)[O:20][CH2:21][C@H:22]1[O:26][C@@H:25](N2C3N=CN=C(N)C=3N=C2)[C@H:24]([OH:37])[C@@H:23]1[O:38]P(O)(O)=O)(=O)C.[CH2:52]([O:63]P(O)(O)=O)[C@H:53]1[O:58][C@@H:57]([OH:59])[C@H:56]([OH:60])[C@@H:55]([OH:61])[C@@H:54]1[OH:62].C([O-])(=O)[C:69](C)=[O:70]>>[CH2:52]([OH:63])[C@H:53]1[O:58][C@H:57]([O:59][C@:22]2([CH2:21][OH:20])[O:26][C@H:25]([CH2:69][OH:70])[C@@H:24]([OH:37])[C@@H:23]2[OH:38])[C@H:56]([OH:60])[C@@H:55]([OH:61])[C@@H:54]1[OH:62] | 1 |
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