smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
[CH3:1][C:2]1[C:11]([C:12]([O:14]CC)=O)=[C:10]([N:17]2[CH2:22][CH2:21][CH2:20][CH2:19][CH2:18]2)[C:9]2[C:4](=[N:5][CH:6]=[CH:7][CH:8]=2)[N:3]=1.[OH-].[Na+].Cl.Cl.CN(C)CCCN=C=NCC.O.ON1C2C=CC=CC=2N=N1.CCN(CC)CC.[F:56][C:57]([F:67])([F:66])[C:58]1[CH:59]=[C:60]([CH:63]=[CH:64][CH:65]=1)[CH2:61][NH2:62]>CCO.O>[CH3:1][C:2]1[C:11]([C:12]([NH:62][CH2:61][C:60]2[CH:63]=[CH:64][CH:65]=[C:58]([C:57]([F:56])([F:66])[F:67])[CH:59]=2)=[O:14])=[C:10]([N:17]2[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]2)[C:9]2[C:4](=[N:5][CH:6]=[CH:7][CH:8]=2)[N:3]=1 | 1 |
CON(C)[C:4]([C:6]1[C:15](=[O:16])[C:14]2[C:9](=[CH:10][CH:11]=[CH:12][CH:13]=2)[N:8]([CH2:17][C:18]2[CH:23]=[CH:22][CH:21]=[C:20]([CH3:24])[N:19]=2)[CH:7]=1)=[O:5].[CH3:26][C:27]1[CH:28]=[CH:29][C:30]([Mg]Br)=[N:31][CH:32]=1>O1CCCC1>[CH3:26][C:27]1[CH:28]=[CH:29][C:30]([C:4]([C:6]2[C:15](=[O:16])[C:14]3[C:9](=[CH:10][CH:11]=[CH:12][CH:13]=3)[N:8]([CH2:17][C:18]3[CH:23]=[CH:22][CH:21]=[C:20]([CH3:24])[N:19]=3)[CH:7]=2)=[O:5])=[N:31][CH:32]=1 | 1 |
C(#C)C1=CC=C(OCCCCCO)C=C1.BrC1=CC(=C(C=C1)C#CC1=CC=C(OCCO)C=C1)OC(F)(F)F>[Cu]I.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-].[Cl-].[Pd+2].c3c(P(c1ccccc1)c2ccccc2)cccc3.CCN(CC)CC>OCCOC1=CC=C(C=C1)C#CC1=C(C=C(C=C1)C#CC1=CC=C(OCCCCCO)C=C1)OC(F)(F)F | 3 |
COC=1C(=NC(=NC1)N1CCN(CC1)C(=O)OC(C)(C)C)C>CO[H].ClCCl.B(Br)(Br)Br>CC1=NC(=NC=C1O)N1CCNCC1 | 3 |
OC1=C(C#N)C=C(C(=N1)C1=CC=CC=C1)C1=CC=C(C=C1)C>P(=O)(Cl)(Cl)Cl>ClC1=C(C#N)C=C(C(=N1)C1=CC=CC=C1)C1=CC=C(C=C1)C | 3 |
COC=1C=C(CN)C=CC1.C(C)(C)(C)OC(NC(CC1=CC=CC=C1)C1OC1)=O>C(C)(C)O>C(C)(C)(C)OC(N[C@H]([C@@H](CNCC1=CC(=CC=C1)OC)O)CC1=CC=CC=C1)=O | 3 |
C(C)S(=O)(=O)N1C2=CC=C(C=C2C=2CC(CCC12)C1CCOCC1)C(=O)O.C(C)NCC(=O)NCCF>>C(C)N(C(=O)C=1C=C2C=3CC(CCC3N(C2=CC1)S(=O)(=O)CC)C1CCOCC1)CC(=O)NCCF | 5 |
[C:1]([OH:11])(=[O:10])[C:2]1[NH:9][C:7](=[O:8])[NH:6][C:4](=[O:5])[CH:3]=1.C=O.Cl.[CH2:15](O)CO>O>[OH:8][C:7]1[N:6]=[C:4]([OH:5])[C:3]2[CH2:15][O:10][C:1](=[O:11])[C:2]=2[N:9]=1 | 2 |
[CH3:1][Si:2]([O:9][CH3:10])([O:7][CH3:8])[CH2:3][CH2:4][CH2:5][OH:6].[OH-].[K+].[CH:13]#[CH:14]>CS(C)=O>[CH:13]([O:6][CH2:5][CH2:4][CH2:3][Si:2]([CH3:1])([O:9][CH3:10])[O:7][CH3:8])=[CH2:14] | 1 |
C(C)(C)(C)OC(=O)N1C[C@H](CC1)C(CC1CC1)OC=1C(=NC(=CC1)Cl)C>ClCCl.Cl>ClC1=CC=C(C(=N1)C)OC(CC1CC1)[C@@H]1CNCC1 | 3 |
ClC1=CC=C(C#N)C=C1.C1N(CCC12CCNCC2)C(=O)OC(C)(C)C>C1(=CC=CC=C1)C.[Pd+2].[O-]C(=O)C.[O-]C(=O)C.C(=O)([O-])[O-].[Cs+].[Cs+].C=1C=CC(=CC1)P(C=2C=CC=CC2)C3=CC=C4C=CC=CC4=C3C5=C6C=CC=CC6=CC=C5P(C=7C=CC=CC7)C=8C=CC=CC8>C(#N)C1=CC=C(C=C1)N1CCC2(CCN(C2)C(=O)OC(C)(C)C)CC1 | 3 |
[Cl:1][C:2]1[CH:16]=[CH:15][C:5]([CH2:6][CH:7]2[CH2:13][CH:12]3[NH:14][CH:9]([CH2:10][CH2:11]3)[CH2:8]2)=[CH:4][CH:3]=1.C[Si](C)(C)CCOC[N:23]1[C:27]2[CH:28]=[CH:29][CH:30]=[CH:31][C:26]=2[N:25]=[C:24]1[CH:32]=O.ClCCCl.C(O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+]>C(Cl)(Cl)Cl.C([O-])([O-])=O.[Na+].[Na+]>[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([CH2:6][CH:7]2[CH2:13][CH:12]3[N:14]([CH2:32][C:24]4[NH:25][C:26]5[CH:31]=[CH:30][CH:29]=[CH:28][C:27]=5[N:23]=4)[CH:9]([CH2:10][CH2:11]3)[CH2:8]2)=[CH:15][CH:16]=1 | 1 |
BrC1=C(C(=C(C=O)C=C1)OC)F.ClC1=C(C=CC=C1C1=C(C(=CC=C1)B1OC(C(O1)(C)C)(C)C)Cl)C1=CC=2N(C(C(=CN2)C=O)=O)C=C1>O.C([O-])([O-])=O.[K+].[K+].O1CCOCC1.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>ClC1=C(C=CC=C1C1=C(C(=CC=C1)C1=C(C(=C(C=C1)C=O)OC)F)Cl)C1=CC=2N(C(C(=CN2)C=O)=O)C=C1 | 3 |
[Cl:1][C:2]1[CH:3]=[C:4]([C@@H:8]2[C@@H:13]([C:14]3[CH:19]=[CH:18][C:17]([Cl:20])=[CH:16][CH:15]=3)[N:12]([C@@H:21]([CH2:29][CH3:30])/[CH:22]=[CH:23]/[S:24]([CH2:27][CH3:28])(=[O:26])=[O:25])[C:11](=[O:31])[C@:10]([CH2:33][CH:34]3[CH2:38][O:37][C:36]([CH3:40])([CH3:39])[O:35]3)([CH3:32])[CH2:9]2)[CH:5]=[CH:6][CH:7]=1>ClCCCl.C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.C1CC=CCCC=C1.C1C=CN=CC=1.F[P-](F)(F)(F)(F)F.[Ir]>[Cl:1][C:2]1[CH:3]=[C:4]([C@@H:8]2[C@@H:13]([C:14]3[CH:15]=[CH:16][C:17]([Cl:20])=[CH:18][CH:19]=3)[N:12]([C@@H:21]([CH2:29][CH3:30])[CH2:22][CH2:23][S:24]([CH2:27][CH3:28])(=[O:25])=[O:26])[C:11](=[O:31])[C@:10]([CH2:33][CH:34]3[CH2:38][O:37][C:36]([CH3:40])([CH3:39])[O:35]3)([CH3:32])[CH2:9]2)[CH:5]=[CH:6][CH:7]=1 | 1 |
FC1=C(C(=O)OC(C)(C)C)C=CC=C1CO>>FC1=C(C(=O)OC(C)(C)C)C=CC=C1C=O | 5 |
O=C1NC(C2CCCCC12)C(=O)OCC>C1CCCO1.C([O-])([O-])=O.[K+].[K+].[BH4-].[Li+]>OCC1NC(C2CCCCC12)=O | 3 |
[OH:1][NH:2][C:3](=O)[CH3:4].C([O-])(C)(C)C.[K+].[Cl:12][C:13]1[C:14]([O:22][CH2:23][CH:24]2[CH2:29][CH2:28][CH2:27][CH2:26][CH2:25]2)=[CH:15][C:16](F)=C([CH:20]=1)C#N.CCOC(C)=O.C[N:37](C=O)C>O>[Cl:12][C:13]1[C:14]([O:22][CH2:23][CH:24]2[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29]2)=[CH:15][C:16]2[O:1][N:2]=[C:3]([NH2:37])[C:4]=2[CH:20]=1 | 2 |
[NH2:1][C:2]1[S:3][C:4]([CH3:10])=[C:5]([C:7](=[O:9])[CH3:8])[N:6]=1.[Cl:11][CH2:12][C:13](=O)[CH2:14][C:15](OCC)=[O:16]>O>[C:7]([C:5]1[N:6]2[C:15](=[O:16])[CH:14]=[C:13]([CH2:12][Cl:11])[N:1]=[C:2]2[S:3][C:4]=1[CH3:10])(=[O:9])[CH3:8] | 2 |
[Li]C=1C=CC=CC1.[Cl-].S1C(=CC=C1)C[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1.C(=O)C1=C(C=C(C=C1)CNCCOC(C(C)(C)C)=O)OC>C1CCCO1>COC=1C=C(C=CC1C=CC=1SC=CC1)CNCCOC(C(C)(C)C)=O | 3 |
[Cl:1][C:2]1[CH:3]=[C:4]([CH:9]=[C:10]([Cl:13])[C:11]=1[Cl:12])[CH2:5][N:6]=[N+:7]=[N-:8].[C:14]([O:18][CH2:19][CH3:20])(=[O:17])[C:15]#[CH:16].[Na].O=C1O[C@H]([C@H](CO)O)C(O)=C1O>C1COCC1.O.O.O.O.O.O.S([O-])([O-])(=O)=O.[Cu+2]>[Cl:1][C:2]1[CH:3]=[C:4]([CH:9]=[C:10]([Cl:13])[C:11]=1[Cl:12])[CH2:5][N:6]1[CH:16]=[C:15]([C:14]([O:18][CH2:19][CH3:20])=[O:17])[N:8]=[N:7]1 | 2 |
[C:1]([O:5][C:6]([NH:8][C@H:9]1[CH2:15][CH2:14][CH2:13][CH2:12][N:11](C(OCC2C=CC=CC=2)=O)[CH2:10]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[H][H]>CO.[OH-].[OH-].[Pd+2]>[NH:11]1[CH2:12][CH2:13][CH2:14][CH2:15][C@H:9]([NH:8][C:6](=[O:7])[O:5][C:1]([CH3:3])([CH3:2])[CH3:4])[CH2:10]1 | 2 |
C(C)(C)(C)OC(=O)N1C[C@H](CC1)O.FC1=NC=CC=C1>>Cl.Cl.N1C[C@H](CC1)OC1=NC=CC=C1 | 5 |
N[C@H](C1C(C2C=CC(F)=C(C=2)C(N)=O)=CN=CN=1)CC1C=C(F)C=C(F)C=1.[NH:28]1[C:32]2=[N:33][CH:34]=[C:35]([C:37]3[C:38]([C@@H:43]([NH:53]C(=O)OC(C)(C)C)[CH2:44][C:45]4[CH:50]=[C:49]([F:51])[CH:48]=[C:47]([F:52])[CH:46]=4)=[N:39][CH:40]=[N:41][CH:42]=3)[CH:36]=[C:31]2[CH:30]=[CH:29]1>>[NH:28]1[C:32]2=[N:33][CH:34]=[C:35]([C:37]3[C:38]([C@@H:43]([NH2:53])[CH2:44][C:45]4[CH:46]=[C:47]([F:52])[CH:48]=[C:49]([F:51])[CH:50]=4)=[N:39][CH:40]=[N:41][CH:42]=3)[CH:36]=[C:31]2[CH:30]=[CH:29]1 | 2 |
C(C1=CC=CC=C1)OC1=C(C=O)C=C(C=C1)Cl.CC1CC(NN1)=O>>ClC=1C=CC(=C(C1)CN1NC(C=C1C)=O)OCC1=CC=CC=C1 | 5 |
BrC1=NC=CC=C1.ClC1=CC(=C(C=N1)B(O)O)C1=CC=CC=C1>O.O1CCOCC1.C([O-])([O-])=O.[Na+].[Na+].c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>ClC1=CC(=C(C=N1)C1=NC=CC=C1)C1=CC=CC=C1 | 3 |
OS(O)(=O)=O.[C:6]([O:13][CH3:14])(=[O:12])[CH2:7][C:8]([O:10][CH3:11])=[O:9].C(O)[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH3:30].C(O[C:35](=O)[CH3:36])C.[CH3:38][CH2:39][CH2:40][CH2:41][CH2:42][CH3:43]>ClCCl>[C:6]([O:13][CH2:14][CH2:30][CH2:29][CH2:28][CH2:27][CH2:26][CH2:25][CH2:24][CH2:23][CH2:22][CH2:21][CH2:20][CH2:19][CH2:18][CH2:17][CH3:16])(=[O:12])[CH2:7][C:8]([O:10][CH2:11][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:35][CH3:36])=[O:9] | 1 |
C1(CC1)C1=C(C(=C2C(C(=CN(C2=C1F)C(CO)C)C(=O)OCC)=O)F)F>N(C)(C)C=O.O.Cl.C(C)(=O)OCC.[H-].[Na+]>C1(CC1)C=1C(=C(C2=C3N(C(COC31)C)C=C(C2=O)C(=O)OCC)F)F | 3 |
Br[C:2]1[NH:11][C:10]2[C:9](=[O:12])[N:7]([CH3:8])[C:6](=[O:13])[N:5]([CH3:14])[C:4]=2[N:3]=1.[NH:15]1[CH2:20][CH2:19][O:18][CH2:17][CH2:16]1>>[O:18]1[CH2:19][CH2:20][N:15]([C:2]2[NH:11][C:10]3[C:9](=[O:12])[N:7]([CH3:8])[C:6](=[O:13])[N:5]([CH3:14])[C:4]=3[N:3]=2)[CH2:16][CH2:17]1 | 1 |
FC(F)(F)S(O)(=O)=O.[Cl:9][C:10]1[CH:30]=[CH:29][C:13]([C:14]([C:16]2[C:17]([C:26](O)=[O:27])=[CH:18][C:19]3[C:24]([CH:25]=2)=[CH:23][CH:22]=[CH:21][CH:20]=3)=[O:15])=[CH:12][CH:11]=1.FC(F)(F)S(OS(C(F)(F)F)(=O)=O)(=O)=O>>[Cl:9][C:10]1[CH:30]=[CH:29][C:13]2[C:14](=[O:15])[C:16]3[C:17](=[CH:18][C:19]4[C:24]([CH:25]=3)=[CH:23][CH:22]=[CH:21][CH:20]=4)[C:26](=[O:27])[C:12]=2[CH:11]=1 | 1 |
[O:1]=[C:2]1[NH:11][CH:10]=[CH:9][C:8]2[N:7]=[C:6]([C:12]3[CH:19]=[CH:18][C:15]([CH:16]=[O:17])=[CH:14][CH:13]=3)[C:5]([C:20]3[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=3)=[CH:4][C:3]1=2.[H-].[Na+].CI.[C:30](O)(=O)C>CN(C=O)C.C(OCC)(=O)C>[CH3:30][N:11]1[CH:10]=[CH:9][C:8]2[N:7]=[C:6]([C:12]3[CH:19]=[CH:18][C:15]([CH:16]=[O:17])=[CH:14][CH:13]=3)[C:5]([C:20]3[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=3)=[CH:4][C:3]=2[C:2]1=[O:1] | 1 |
[NH2:1][C:2]1[C:7]([C:8]2[N:30]([C:31]3[CH:36]=[CH:35][C:34]([C:37]4([NH:41]C(=O)OC(C)(C)C)[CH2:40][CH2:39][CH2:38]4)=[CH:33][CH:32]=3)[C:11]3=[N:12][C:13]([C:16]4[CH:21]=[CH:20][CH:19]=[C:18]([N:22]5[CH2:27][CH2:26][S:25](=[O:29])(=[O:28])[CH2:24][CH2:23]5)[CH:17]=4)=[CH:14][CH:15]=[C:10]3[N:9]=2)=[CH:6][CH:5]=[CH:4][N:3]=1.[ClH:49].O1CCOCC1>C(Cl)Cl>[ClH:49].[ClH:49].[ClH:49].[NH2:41][C:37]1([C:34]2[CH:33]=[CH:32][C:31]([N:30]3[C:11]4=[N:12][C:13]([C:16]5[CH:21]=[CH:20][CH:19]=[C:18]([N:22]6[CH2:27][CH2:26][S:25](=[O:28])(=[O:29])[CH2:24][CH2:23]6)[CH:17]=5)=[CH:14][CH:15]=[C:10]4[N:9]=[C:8]3[C:7]3[C:2]([NH2:1])=[N:3][CH:4]=[CH:5][CH:6]=3)=[CH:36][CH:35]=2)[CH2:40][CH2:39][CH2:38]1 | 1 |
[F:1][C:2]1[CH:3]=[C:4]([NH:9][C:10]2[C:15]([C:16]([NH:18][C@@H:19]3[CH2:24][CH2:23][C@H:22]([NH:25]C(=O)OC(C)(C)C)[CH2:21][CH2:20]3)=[O:17])=[CH:14][C:13]([F:33])=[CH:12][N:11]=2)[CH:5]=[CH:6][C:7]=1[F:8].[H-].[Na+].[S:36](Cl)(Cl)=[O:37].C([O-])([O-])=O.[Na+].[Na+]>C1COCC1>[NH2:25][C@@H:22]1[CH2:23][CH2:24][C@H:19]([N:18]2[S:36](=[O:37])[N:9]([C:4]3[CH:5]=[CH:6][C:7]([F:8])=[C:2]([F:1])[CH:3]=3)[C:10]3[N:11]=[CH:12][C:13]([F:33])=[CH:14][C:15]=3[C:16]2=[O:17])[CH2:20][CH2:21]1 | 2 |
C[C@@H](C1=CC=CC=C1)N.ClC1=NC=CC(=C1)C1=CC=2N(C(=N1)N1[C@@H]3CN([C@H](C1)C3)C(C)(C)C)C=CN2>>C(C)(C)(C)N1[C@@H]2CN([C@H](C1)C2)C2=NC(=CC=1N2C=CN1)C1=CC(=NC=C1)N[C@@H](C)C1=CC=CC=C1 | 5 |
FC1=CC=C(C(=O)OCC)C=C1.COC1=CC=C(C=C1)NC=O>>COC1=CC=C(C=C1)NC1=CC=C(C(=O)O)C=C1 | 5 |
CO[C:3]1[C:8]([O:9][C:10]2[CH:15]=[CH:14][CH:13]=[CH:12][C:11]=2[CH3:16])=[CH:7][CH:6]=[CH:5][C:4]=1[CH2:17][CH2:18][C:19]([OH:21])=[O:20].I>C(OC(=O)C)(=O)C>[C:11]1([CH3:16])[CH:12]=[CH:13][CH:14]=[CH:15][C:10]=1[O:9][C:8]1[CH:7]=[CH:6][CH:5]=[C:4]2[C:3]=1[O:21][C:19](=[O:20])[CH2:18][CH2:17]2 | 1 |
[C:1]([C:6]1[C:14]2[C:9](=[CH:10][C:11]([O:15][CH3:16])=[CH:12][CH:13]=2)[N:8]([CH2:17][C:18]([OH:20])=O)[N:7]=1)(=[O:5])[CH:2]([CH3:4])[CH3:3].C1C=C2N=NN(O)C2=CC=1.O.Cl.[CH2:33]([NH:35][CH2:36][CH2:37][C:38]([CH3:41])([CH3:40])[CH3:39])[CH3:34].CCN(C(C)C)C(C)C.CCN=C=NCCCN(C)C.Cl>CN(C=O)C>[CH3:39][C:38]([CH3:41])([CH3:40])[CH2:37][CH2:36][N:35]([CH2:33][CH3:34])[C:18](=[O:20])[CH2:17][N:8]1[C:9]2[C:14](=[CH:13][CH:12]=[C:11]([O:15][CH3:16])[CH:10]=2)[C:6]([C:1](=[O:5])[CH:2]([CH3:3])[CH3:4])=[N:7]1 | 1 |
CN(C1=CC=C(C=C1)B(O)O)C.ClC1=NC2=CC=CC=C2C(=N1)NCC(C=1NC=CC1)C1=CC=CC=C1>>CN(C1=CC=C(C=C1)C1=NC2=CC=CC=C2C(=N1)NCC(C=1NC=CC1)C1=CC=CC=C1)C | 5 |
NC(=S)N.N1=CC(=CC=C1)CCCCl>CCO[H].[OH-].[Na+]>N1=CC(=CC=C1)CCCS | 3 |
[NH2:1][C:2]1[CH:11]=[CH:10][C:5]([C:6]([O:8][CH3:9])=[O:7])=[CH:4][CH:3]=1.[F:12][C:13]1[CH:14]=[C:15](B(O)O)[CH:16]=[CH:17][CH:18]=1.N1C=CC=CC=1>ClCCl.C([O-])(=O)C.[Cu+2].C([O-])(=O)C>[F:12][C:13]1[CH:18]=[C:17]([NH:1][C:2]2[CH:3]=[CH:4][C:5]([C:6]([O:8][CH3:9])=[O:7])=[CH:10][CH:11]=2)[CH:16]=[CH:15][CH:14]=1 | 1 |
COC1=CC=C(CN(C2=CC(=C(C(=N2)C2=C(C=C3C(=NC(=NC3=C2F)OCC23CCCN3C(CC2)CF)N2CC3CCC(C2)N3C(=O)OC(C)(C)C)Cl)C(F)(F)F)C)CC3=CC=C(C=C3)OC)C=C1>C(=O)(C(F)(F)F)O.C(O)([O-])=O.[Na+]>C12CN(CC(CC1)N2)C2=NC(=NC1=C(C(=C(C=C21)Cl)C2=C(C(=CC(=N2)N)C)C(F)(F)F)F)OCC21CCCN1C(CC2)CF | 3 |
COC1=CC=C(C=C1)S(=O)(=O)Cl.N1C=CC2=CC=CC=C12>C1(=CC=CC=C1)C.[OH-].[Na+].S(=O)(=O)(O)[O-].C(CCC)[N+](CCCC)(CCCC)CCCC>COC1=CC=C(C=C1)S(=O)(=O)N1C=CC2=CC=CC=C12 | 3 |
Cl.CNOC.O=C1CC(CN1C1=CC(=CC=C1)C(F)(F)F)C(=O)O>ClCCl.CCN(CC)CC.C(=O)(C=1NC=CN1)C=1NC=CN1>CON(C(=O)C1CN(C(C1)=O)C1=CC(=CC=C1)C(F)(F)F)C | 3 |
C(C1=CC=CC=C1)N.CP(C=C)(C=C)=O>>C(C1=CC=CC=C1)N1CCP(CC1)(C)=O | 5 |
[Br:1][C:2]1[CH:7]=[CH:6][C:5]([C:8](=O)[CH2:9][CH2:10][CH2:11][C:12]([OH:14])=O)=[CH:4][CH:3]=1.C(N=C=NC(C)C)(C)C.Cl.[CH3:26][C:27]1[CH:32]=[CH:31][C:30]([NH:33]N)=[CH:29][CH:28]=1.FC1C(CO)=C(F)C(F)=C(F)C=1F.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.[CH3:81][O:82][C:83]1[CH:88]=[CH:87][CH:86]=[CH:85][C:84]=1[N:89]1[CH2:94][CH2:93][NH:92][CH2:91][CH2:90]1>O1CCCC1.ClCCl.CN(C)C1C=CN=CC=1.C(O)(=O)C.O1CCCC1.[Cl-].[Zn+2].[Cl-]>[Br:1][C:2]1[CH:3]=[CH:4][C:5]([C:8]2[NH:33][C:30]3[C:31]([C:9]=2[CH2:10][CH2:11][C:12]([N:92]2[CH2:91][CH2:90][N:89]([C:84]4[CH:85]=[CH:86][CH:87]=[CH:88][C:83]=4[O:82][CH3:81])[CH2:94][CH2:93]2)=[O:14])=[CH:32][C:27]([CH3:26])=[CH:28][CH:29]=3)=[CH:6][CH:7]=1 | 1 |
CI.OC1=CC=C2C(CCOC2=C1)=O>>COC1=CC=C2C(CCOC2=C1)=O | 5 |
C(CC#C)(=O)O.CC1=C(OC2=C1C=CC=C2)C=O.CC1=C(N)C=C(C=C1)OC(C)C1=CC=CC=C1>O.C1CCCO1.Cl[Cu]>CC=1C=CC(=C2C(=CC(=NC12)C=1OC2=C(C1C)C=CC=C2)CC(=O)O)OC(C)C2=CC=CC=C2 | 3 |
[CH2:1]([C:3]1[CH:8]=[CH:7][C:6]([N:9]2[CH2:24][CH:12]3[CH2:13][N:14](C(OC(C)(C)C)=O)[CH2:15][CH2:16][N:11]3[C:10]2=[O:25])=[CH:5][CH:4]=1)[CH3:2].C(OCC)(=O)C.[ClH:32]>>[ClH:32].[CH2:1]([C:3]1[CH:4]=[CH:5][C:6]([N:9]2[CH2:24][CH:12]3[CH2:13][NH:14][CH2:15][CH2:16][N:11]3[C:10]2=[O:25])=[CH:7][CH:8]=1)[CH3:2] | 2 |
[Cl:1][C:2]1[CH:3]=[C:4]([C:9]2[CH:13]=[C:12]([C:14]3[CH:15]=[N:16][C:17]4[C:22]([CH:23]=3)=[CH:21][CH:20]=[C:19]([O:24][CH3:25])[CH:18]=4)[N:11]([C@H:26]([C:28]3[CH:45]=[CH:44][C:31]([C:32]([NH:34][CH2:35][CH2:36][C:37]([O:39]C(C)(C)C)=[O:38])=[O:33])=[CH:30][CH:29]=3)[CH3:27])[N:10]=2)[CH:5]=[C:6]([Cl:8])[CH:7]=1.C(O)(C(F)(F)F)=O>C(Cl)Cl>[Cl:8][C:6]1[CH:5]=[C:4]([C:9]2[CH:13]=[C:12]([C:14]3[CH:15]=[N:16][C:17]4[C:22]([CH:23]=3)=[CH:21][CH:20]=[C:19]([O:24][CH3:25])[CH:18]=4)[N:11]([C@H:26]([C:28]3[CH:29]=[CH:30][C:31]([C:32]([NH:34][CH2:35][CH2:36][C:37]([OH:39])=[O:38])=[O:33])=[CH:44][CH:45]=3)[CH3:27])[N:10]=2)[CH:3]=[C:2]([Cl:1])[CH:7]=1 | 1 |
ClC=1C=NC=2C=CC(N3C2C1C(C3)=C)=O>O.CC[C@@H]1CN2CC[C@@H]1C[C@@H]2[C@@H](C4=C3C=C(C=CC3=NC=C4)OC)OC5=NN=C(C6=CC=CC=C56)O[C@@H]([C@H]7C[C@@H]8CCN7C[C@@H]8CC)C%10=C9C=C(C=CC9=NC=C%10)OC.[K+].[K+].[O-][Os](O)(O)(O)(O)[O-].[K+].[K+].N#C[Fe-3](C#N)(C#N)(C#N)(C#N)C#N.[K+].C(=O)([O-])[O-].[K+].[K+].CC(C)(C)O>ClC=1C=NC=2C=CC(N3C2C1C(C3)(CO)O)=O | 3 |
[CH2:1]([O:3][C:4]1[CH:5]=[C:6]2[C:11](=[CH:12][CH:13]=1)[CH2:10][CH:9]([OH:14])[CH2:8][CH2:7]2)[CH3:2].[H-].[Na+].Cl[C:18]1[C:27]2[C:22](=[CH:23][CH:24]=[CH:25][CH:26]=2)[N:21]=[CH:20][N:19]=1>C1COCC1.CCOCC>[CH2:1]([O:3][C:4]1[CH:5]=[C:6]2[C:11](=[CH:12][CH:13]=1)[CH2:10][CH:9]([O:14][C:18]1[C:27]3[C:22](=[CH:23][CH:24]=[CH:25][CH:26]=3)[N:21]=[CH:20][N:19]=1)[CH2:8][CH2:7]2)[CH3:2] | 1 |
CC1CCCO1.[F:7][C:8]1[CH:16]=[C:15]2[C:11]([CH2:12][O:13][C:14]2=[O:17])=[C:10]([N+:18]([O-:20])=[O:19])[CH:9]=1.[CH3:21][N:22]1[C:26]([CH:27]=O)=[N:25][CH:24]=[N:23]1.C(N(CC)CC)C.C(OC(=O)C)(=O)C>>[F:7][C:8]1[CH:16]=[C:15]2[C:11](/[C:12](=[CH:27]/[C:26]3[N:22]([CH3:21])[N:23]=[CH:24][N:25]=3)/[O:13][C:14]2=[O:17])=[C:10]([N+:18]([O-:20])=[O:19])[CH:9]=1 | 1 |
NC1=C(C=C(C#N)C=C1)[N+](=O)[O-]>[Pd]C>NC=1C=C(C#N)C=CC1N | 3 |
C(C)C1=C(C=CC(=C1)C=1CCC(CN1)C)O>CO[H].[Na+].[BH4-]>C(C)C1=C(C=CC(=C1)[C@@H]1NC[C@H](CC1)C)O | 3 |
C([O:3][C:4](=[O:46])[C:5]([CH3:45])([O:38][C:39]1[CH:44]=[CH:43][CH:42]=[CH:41][CH:40]=1)[CH2:6][C:7]1[CH:12]=[CH:11][C:10]([O:13][CH2:14][CH2:15][CH:16]2[CH2:20][N:19]([CH2:21][C:22]3[CH:27]=[C:26]([C:28]([F:31])([F:30])[F:29])[CH:25]=[C:24]([C:32]([F:35])([F:34])[F:33])[CH:23]=3)[C:18](=[O:36])[N:17]2[CH3:37])=[CH:9][CH:8]=1)C.[OH-].[Na+].Cl>C(O)C>[F:35][C:32]([F:33])([F:34])[C:24]1[CH:23]=[C:22]([CH:27]=[C:26]([C:28]([F:29])([F:30])[F:31])[CH:25]=1)[CH2:21][N:19]1[CH2:20][CH:16]([CH2:15][CH2:14][O:13][C:10]2[CH:11]=[CH:12][C:7]([CH2:6][C:5]([CH3:45])([O:38][C:39]3[CH:44]=[CH:43][CH:42]=[CH:41][CH:40]=3)[C:4]([OH:46])=[O:3])=[CH:8][CH:9]=2)[N:17]([CH3:37])[C:18]1=[O:36] | 1 |
Cl.NC1C2CC3CC(CC1C3)C2.ClC1=NC=C(C(=N1)Cl)C(=O)Cl>>C12C(C3CC(CC(C1)C3)C2)NC(=O)C=2C(=NC(=NC2)Cl)Cl | 5 |
[Li]C(CC)C.Br[C:7]1[CH:12]=[CH:11][C:10]([C:13]([F:16])([F:15])[F:14])=[CH:9][CH:8]=1.CON(C)[C:20](=[O:30])[CH2:21][C:22]1[CH:27]=[CH:26][C:25]([O:28][CH3:29])=[CH:24][CH:23]=1>C1COCC1>[CH3:29][O:28][C:25]1[CH:26]=[CH:27][C:22]([CH2:21][C:20]([C:7]2[CH:12]=[CH:11][C:10]([C:13]([F:16])([F:15])[F:14])=[CH:9][CH:8]=2)=[O:30])=[CH:23][CH:24]=1 | 1 |
[C:1]1([C:7]2[C:15]([CH:16]=O)=[C:10]3[CH:11]=[CH:12][CH:13]=[CH:14][N:9]3[N:8]=2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[ClH:18].[NH2:19][OH:20]>C(O)C>[ClH:18].[C:1]1([C:7]2[C:15]([CH:16]=[N:19][OH:20])=[C:10]3[CH:11]=[CH:12][CH:13]=[CH:14][N:9]3[N:8]=2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1 | 1 |
[C:1]([Si:5]([O:8][C:9]1[CH:14]=[C:13]([CH3:15])[CH:12]=[C:11]([F:16])[CH:10]=1)([CH3:7])[CH3:6])([CH3:4])([CH3:3])[CH3:2].[Br:17]N1C(=O)CCC1=O.C(OCC)(=O)C.O>C1COCC1>[Br:17][C:12]1[C:13]([CH3:15])=[CH:14][C:9]([O:8][Si:5]([C:1]([CH3:4])([CH3:3])[CH3:2])([CH3:7])[CH3:6])=[CH:10][C:11]=1[F:16].[Br:17][C:14]1[C:13]([CH3:15])=[CH:12][C:11]([F:16])=[CH:10][C:9]=1[O:8][Si:5]([C:1]([CH3:4])([CH3:3])[CH3:2])([CH3:7])[CH3:6] | 1 |
ClC=1C=C2CCC[C@@]3(C2=CC1)COC1=C(N(C3)C[C@H]3[C@@H](CC3)C=O)C=C(C=C1)S(=O)(=O)N(CC1=CC=C(C=C1)OC)CC1=CC=C(C=C1)OC>ClCCl.CC(C)(C)[S@](=O)N.[O-]S(=O)(=O)[O-].[Cu+2]>ClC=1C=C2CCC[C@@]3(C2=CC1)COC1=C(N(C3)C[C@H]3[C@@H](CC3)/C=N/[S@@](=O)C(C)(C)C)C=C(C=C1)S(=O)(=O)N(CC1=CC=C(C=C1)OC)CC1=CC=C(C=C1)OC | 3 |
C(C=C)(=O)Cl.NC=1C=C(C=CC1)C=1C=C(C=C2C(=NC=NC12)N)C1=CC=CC=C1>C1CCCO1.CCN(CC)CC>NC1=NC=NC2=C(C=C(C=C12)C1=CC=CC=C1)C=1C=C(C=CC1)NC(C=C)=O | 3 |
BrC1=CC(=C(C(=C1)\C=C\B1OC(C(O1)(C)C)(C)C)O)Cl>CC#N.N1=C(C=CC=C1)C1=C(C=CC=C1)[Ir](C1=C(C=CC=C1)C1=NC=CC=C1)C1=C(C=CC=C1)C1=NC=CC=C1>BrC=1C=C(C2=C(C=CB(O2)O)C1)Cl | 3 |
Cl[CH2:2][N:3]([C:10](=[O:13])[CH2:11][Cl:12])[C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][CH:5]=1.N.[CH2:15]([OH:17])[CH3:16]>>[CH2:15]([O:17][CH2:2][N:3]([C:10](=[O:13])[CH2:11][Cl:12])[C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][CH:5]=1)[CH3:16] | 1 |
COC1=CC=C(C=C1)B(O)O.COC(=O)C=1C(SC2=CC(=CC=C2C1O)Br)=O>C([O-])([O-])=O.[Na+].[Na+].COCCOC.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>COC(=O)C=1C(SC2=CC(=CC=C2C1O)C1=CC=C(C=C1)OC)=O | 3 |
[Si](C)(C)(C(C)(C)C)OC1C=C(CC1)CCCCP(OCC)=O>CCO[H].[HH].[Pd]>[Si](C)(C)(C(C)(C)C)O[C@H]1C[C@H](CC1)CCCCP(OCC)=O | 3 |
C(CC)(=O)Cl.C(C)(C)(C)OC(=O)N[C@@H]1CNCC1>ClCCl.CCN(CC)CC>C(CC)(=O)N1C[C@H](CC1)NC(OC(C)(C)C)=O | 3 |
[C-]#N.[Zn+2].[C-]#N.BrC1=CC=C(C=C1)C1=CC(=NN1C=1C=NC=CC1)C(=O)OCC>>C(#N)C1=CC=C(C=C1)C1=CC(=NN1C=1C=NC=CC1)C(=O)OCC | 5 |
C[C@](CC=1C=CC(=C(C1)O)O)(C(=O)O)NN>CO[H].C(C)(=O)Cl>OC=1C=C(C=CC1O)CC(C(=O)OC)(C)NN | 3 |
[C:1]1([S:7]([C:10]2[C@H:17]3[C@H:15]([O:16]3)[C@H:14]([CH3:18])[C@H:13]([OH:19])[C@@H:12]([CH3:20])[CH:11]=2)(=[O:9])=[O:8])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.N1C(C)=CC=CC=1C.[Si:29](OS(C(F)(F)F)(=O)=O)([C:32]([CH3:35])([CH3:34])[CH3:33])([CH3:31])[CH3:30].CO>C(Cl)Cl>[C:1]1([S:7]([C:10]2[C@H:17]3[C@H:15]([O:16]3)[C@H:14]([CH3:18])[C@H:13]([O:19][Si:29]([C:32]([CH3:35])([CH3:34])[CH3:33])([CH3:31])[CH3:30])[C@@H:12]([CH3:20])[CH:11]=2)(=[O:9])=[O:8])[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=1 | 1 |
C(CO)O.COC(C1=C(C=C(C=C1)C=O)Br)=O>C1CCCO1.C1(=CC=C(C=C1)S(=O)(=O)O)C>COC(C1=C(C=C(C=C1)C1OC=CCO1)Br)=O | 3 |
CN1C(=NC(=C1)S(=O)(=O)Cl)C.S1N=C(C=2C1=NC=CC2)NCCCNCC2=CC=C(C=C2)C2=CC=C(C=C2)OC>>S1N=C(C=2C1=NC=CC2)NCCCN(S(=O)(=O)C=2N=C(N(C2)C)C)CC2=CC=C(C=C2)C2=CC=C(C=C2)OC | 5 |
[Cl:1][C:2]1[N:10]=[C:9]2[C:5]([N:6]=[CH:7][NH:8]2)=[C:4]([N:11]2[C:19]3[C:14](=[CH:15][CH:16]=[CH:17][CH:18]=3)[CH2:13][CH2:12]2)[N:3]=1.ClC1C(=O)C(C#N)=C(C#N)C(=O)C=1Cl>O1CCOCC1>[Cl:1][C:2]1[N:10]=[C:9]2[C:5]([N:6]=[CH:7][NH:8]2)=[C:4]([N:11]2[C:19]3[C:14](=[CH:15][CH:16]=[CH:17][CH:18]=3)[CH:13]=[CH:12]2)[N:3]=1 | 1 |
S(=O)(=O)(O)O.[CH2:6]([NH:8][CH2:9][C:10]([OH:12])=[O:11])[CH3:7].[OH-].[Na+].C(=O)([O-])O.[Na+].[CH3:20][CH2:21]O>>[CH2:6]([NH:8][CH2:9][C:10]([O:12][CH2:20][CH3:21])=[O:11])[CH3:7] | 1 |
NC1=C(C(=NN1CC1=CC=CC=C1)C1=CC(=CC=C1)OC)C#N>O.C(=O)O>C(C1=CC=CC=C1)N1N=C(C=2C1=NC=NC2O)C2=CC(=CC=C2)OC | 3 |
F[C:2]1[C:11]2[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=2)[C:5]([N+:12]([O-])=O)=[CH:4][CH:3]=1.[CH3:15][O:16][C:17]([C:19]1[CH:24]=[C:23]([OH:25])[CH:22]=[CH:21][N:20]=1)=[O:18].C([O-])([O-])=O.[K+].[K+]>CN(C=O)C.C(Cl)Cl.[Pd]>[CH3:15][O:16][C:17]([C:19]1[CH:24]=[C:23]([O:25][C:2]2[C:11]3[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=3)[C:5]([NH2:12])=[CH:4][CH:3]=2)[CH:22]=[CH:21][N:20]=1)=[O:18] | 1 |
C1(C=2C(C(N1)=O)=CC=CC2)=O.O[C@H]1C[C@H](C1)NC(OC(C)(C)C)=O>C1CCCO1.c3c(P(c1ccccc1)c2ccccc2)cccc3.N(=NC(=O)OC(C)C)C(=O)OC(C)C>O=C1N(C(C2=CC=CC=C12)=O)[C@@H]1C[C@H](C1)NC(OC(C)(C)C)=O | 3 |
NC1(C(CCN(CC1)CC1=CC=CC=C1)O)C>C1CCCO1.C(=O)(C(F)(F)F)OC(=O)C(F)(F)F.CCN(CC)CC>C(C1=CC=CC=C1)N1CCC(C(CC1)O)(C)NC(C(F)(F)F)=O | 3 |
[F:1][C:2]1[CH:9]=[CH:8][C:5]([CH:6]=[CH2:7])=[CH:4][CH:3]=1.[N+](=[CH:12][C:13]([O:15][CH2:16][CH3:17])=[O:14])=[N-]>C(Cl)Cl.C1(NN)C=CC=CC=1>[CH2:16]([O:15][C:13]([CH:12]1[CH2:7][CH:6]1[C:5]1[CH:8]=[CH:9][C:2]([F:1])=[CH:3][CH:4]=1)=[O:14])[CH3:17] | 2 |
[NH2:1][CH:2]([CH3:13])[CH2:3][NH:4][CH2:5][C:6]1[CH:7]=[CH:8][C:9]([Cl:12])=[N:10][CH:11]=1.[N+:14]([CH:17]=[C:18](SC)SC)([O-:16])=[O:15]>CO>[Cl:12][C:9]1[CH:8]=[CH:7][C:6]([CH2:5][N:4]2[CH2:3][CH:2]([CH3:13])[NH:1][C:18]2=[CH:17][N+:14]([O-:16])=[O:15])=[CH:11][N:10]=1 | 1 |
C1(CC1)CO.ClC1=CC(=NC=N1)N>CC(C)(C)[O-].[K+].CS(=O)C>C1(CC1)COC1=CC(=NC=N1)N | 3 |
BrC=1C=C2C=CNC2=NC1.O1CCC(CC1)CCN1C(CNC=2C1=NC(=CN2)[Sn](C)(C)C)=O>N(C)(C)C=O.CCN(CC)CC.[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.CC1=C(C=CC=C1)P(C1=C(C=CC=C1)C)C1=C(C=CC=C1)C>N1C=CC=2C1=NC=C(C2)C2=CN=C1C(=N2)N(C(CN1)=O)CCC1CCOCC1 | 3 |
[H-].[Na+].[CH3:3][N:4]1[CH2:16][CH2:15][C:14]2[C:13]3[C:8](=[CH:9][CH:10]=[C:11]([CH3:17])[CH:12]=3)[NH:7][C:6]=2[CH2:5]1.[CH3:18][C:19]1([C:22]2[CH:27]=[CH:26][N:25]=[CH:24][N:23]=2)[CH2:21][O:20]1>CN(C=O)C.O>[CH3:3][N:4]1[CH2:16][CH2:15][C:14]2[C:13]3[C:8](=[CH:9][CH:10]=[C:11]([CH3:17])[CH:12]=3)[N:7]([CH2:18][C:19]([C:22]3[CH:27]=[CH:26][N:25]=[CH:24][N:23]=3)([OH:20])[CH3:21])[C:6]=2[CH2:5]1 | 2 |
[CH3:1][C:2]1([CH3:25])[CH2:11][CH2:10][C:9]([CH3:13])([CH3:12])[C:8]2[CH:7]=[C:6]([C:14]3[S:15][C:16]([CH:19]4[CH2:24][CH2:23][NH:22][CH2:21][CH2:20]4)=[CH:17][N:18]=3)[CH:5]=[CH:4][C:3]1=2.C([O:29][CH2:30][CH2:31][CH2:32][CH2:33]Br)(=O)C.[OH-].[Na+]>CO>[CH3:1][C:2]1([CH3:25])[CH2:11][CH2:10][C:9]([CH3:12])([CH3:13])[C:8]2[CH:7]=[C:6]([C:14]3[S:15][C:16]([CH:19]4[CH2:24][CH2:23][N:22]([CH2:33][CH2:32][CH2:31][CH2:30][OH:29])[CH2:21][CH2:20]4)=[CH:17][N:18]=3)[CH:5]=[CH:4][C:3]1=2 | 1 |
C(C=C)(=O)O.C1(=CC=CC=C1)C(C(=O)C1=CC=CC=C1)=NO>>C1(=CC=CC=C1)C(C(=O)C1=CC=CC=C1)=NO | 5 |
CCOC(=O)C.CCCCC.CCOC(=O)C1(CO1)CO>ClCCl.CCN(CC)CC.C(C(=O)Cl)(=O)Cl.CS(=O)C>CCOC(=O)C(COCC(C(=O)OCC)C=O)C=O | 3 |
[C:1]([O:4][C@@H:5]1[C@@H:12]([O:13][C:14](=[O:16])[CH3:15])[C@H:11]([O:17][C:18](=[O:20])[CH3:19])[C@@H:10]([CH2:21][N:22]=[N+:23]=[N-:24])[O:9][C@@H:6]1OC)(=[O:3])[CH3:2].S(=O)(=O)(O)O.[C:30]([OH:33])(=[O:32])[CH3:31]>C(OC(=O)C)(=O)C>[C:30]([O:33][C@H:6]1[O:9][C@H:10]([CH2:21][N:22]=[N+:23]=[N-:24])[C@@H:11]([O:17][C:18](=[O:20])[CH3:19])[C@H:12]([O:13][C:14](=[O:16])[CH3:15])[C@H:5]1[O:4][C:1](=[O:3])[CH3:2])(=[O:32])[CH3:31] | 1 |
[CH2:1]([O:3][C:4]1[CH:5]=[C:6]([CH:9]=[CH:10][C:11]=1[OH:12])[CH:7]=[O:8])[CH3:2].C(=O)([O-])[O-].[K+].[K+].I[CH2:20][CH3:21]>CN(C)C=O>[CH2:1]([O:3][C:4]1[CH:5]=[C:6]([CH:9]=[CH:10][C:11]=1[O:12][CH2:20][CH3:21])[CH:7]=[O:8])[CH3:2] | 1 |
BrC1=CC=C(CO[C@H]2CN3C(OC2)=NC(=C3)[N+](=O)[O-])C=C1>>[N+](=O)([O-])C=1N=C2OC[C@H](CN2C1)OCC1=CC=C(C=C1)B1OC(C(O1)(C)C)(C)C | 5 |
C(S(N1CCC(C2[C:20]3[C:15](=[C:16]([C:33](N)=O)[CH:17]=C(C4SC(CNCC(C)CC)=CC=4)C=3)[NH:14]C=2)CC1)(=O)=O)C.[CH:36]([C:38]1[S:42][C:41]([B:43]([OH:45])[OH:44])=[CH:40][CH:39]=1)=O.C[C@@H](N)C(C)C.[BH3-]C#N.[Na+]>>[CH3:20][C@@H:15]([NH:14][CH2:36][C:38]1[S:42][C:41]([B:43]([OH:45])[OH:44])=[CH:40][CH:39]=1)[CH:16]([CH3:33])[CH3:17] | 1 |
C(C)(C)(C)OC(NC=1SC(=CC1C(=O)N1CCC(CC1)N1CC(CCC1)C(=O)N(CC)CC)C1=CC=CC=C1)=O>>NC=1SC(=CC1C(=O)N1CCC(CC1)N1CC(CCC1)C(=O)N(CC)CC)C1=CC=CC=C1 | 5 |
Cl[C:2]1[N:7]=[CH:6][N:5]=[C:4]([O:8][C@H:9]2[CH2:14][CH2:13][N:12]([C:15]([O:17][C:18]3([CH3:21])[CH2:20][CH2:19]3)=[O:16])[CH2:11][C@H:10]2[F:22])[C:3]=1[CH3:23].[NH:24]1[C:31]2[N:27]([N:28]=[CH:29][CH:30]=2)[CH2:26][CH2:25]1.C(=O)([O-])[O-].[Cs+].[Cs+]>CN1CCCC1=O.CS(C)=O>[N:24]1([C:2]2[N:7]=[CH:6][N:5]=[C:4]([O:8][C@H:9]3[CH2:14][CH2:13][N:12]([C:15]([O:17][C:18]4([CH3:21])[CH2:20][CH2:19]4)=[O:16])[CH2:11][C@H:10]3[F:22])[C:3]=2[CH3:23])[C:31]2[N:27]([N:28]=[CH:29][CH:30]=2)[CH2:26][CH2:25]1 | 2 |
C(=O)([O-])[O-].[K+].[K+].[CH3:7][C:8]([CH3:12])=[CH:9][CH2:10]Br.[CH3:13][C:14]1[C:19](=[S:20])[CH2:18][CH:17]=[CH:16][C:15]=1[C:21]([O:23][CH3:24])=[O:22]>CC(C)=O>[CH3:7][C:8]([CH3:12])=[CH:9][CH2:10][S:20][C:19]1[C:14]([CH3:13])=[C:15]([CH:16]=[CH:17][CH:18]=1)[C:21]([O:23][CH3:24])=[O:22] | 1 |
[C@H:1]1([C:7]([OH:9])=[O:8])[CH2:6][CH2:5][CH:4]=[CH:3][CH2:2]1.C[Si]([Br:14])(C)C.CS(C)=O.C(N(CC)C(C)C)(C)C.C1C=C(NS(C2C=CC(N/N=C3/C=CC(C(C(O)=O)=C/3)=O)=CC=2)(=O)=O)N=CC=1>C(Cl)(Cl)Cl>[Br:14][C@H:4]1[C@@H:5]2[CH2:6][C@@H:1]([C:7](=[O:9])[O:8]2)[CH2:2][CH2:3]1 | 1 |
[N:1]1([C:7]([N:9]2[CH2:14][CH:13]([C:15]3[CH:20]=[CH:19][C:18]([O:21][C:22]([F:25])([F:24])[F:23])=[CH:17][CH:16]=3)[CH2:12][CH:11]([C:26](=[S:28])[NH2:27])[CH2:10]2)=[O:8])[CH2:6][CH2:5][O:4][CH2:3][CH2:2]1.Br[CH2:30][C:31](=O)[CH2:32][CH:33]([CH3:35])[CH3:34]>>[CH3:34][CH:33]([CH3:35])[CH2:32][C:31]1[N:27]=[C:26]([CH:11]2[CH2:12][CH:13]([C:15]3[CH:16]=[CH:17][C:18]([O:21][C:22]([F:23])([F:24])[F:25])=[CH:19][CH:20]=3)[CH2:14][N:9]([C:7]([N:1]3[CH2:6][CH2:5][O:4][CH2:3][CH2:2]3)=[O:8])[CH2:10]2)[S:28][CH:30]=1 | 1 |
[C:1]([O:5][C:6]([N:8]1[CH2:12][C@H:11]([CH2:13]OS(C)(=O)=O)[C@@H:10]([OH:19])[CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[CH2:20]([SH:27])[C:21]1[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=1.[H-].[Na+]>CN(C=O)C.C1(C)C=CC=CC=1>[C:1]([O:5][C:6]([N:8]1[CH2:12][C@H:11]([CH2:13][S:27][CH2:20][C:21]2[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=2)[C@@H:10]([OH:19])[CH2:9]1)=[O:7])([CH3:2])([CH3:3])[CH3:4] | 1 |
[CH:1]1[C:11]2[C:10]3[CH:12]=[CH:13][CH:14]=[CH:15][C:9]=3[CH2:8][N:7]([C:16](=[NH:20])[O:17][CH2:18][CH3:19])[CH2:6][C:5]=2[CH:4]=[CH:3][CH:2]=1.[C:21]([C:23]1[CH:31]=[CH:30][C:26]([C:27](Cl)=[O:28])=[CH:25][CH:24]=1)#[N:22]>>[C:21]([C:23]1[CH:31]=[CH:30][C:26]([C:27]([N:20]=[C:16]([N:7]2[CH2:6][C:5]3[CH:4]=[CH:3][CH:2]=[CH:1][C:11]=3[C:10]3[CH:12]=[CH:13][CH:14]=[CH:15][C:9]=3[CH2:8]2)[O:17][CH2:18][CH3:19])=[O:28])=[CH:25][CH:24]=1)#[N:22] | 1 |
C1C(=O)N([O:8][C:9]([CH2:11][CH2:12][CH2:13][CH2:14][C@@H:15]2[S:19][CH2:18][C@@H:17]3[NH:20][C:21]([NH:23][C@H:16]23)=[O:22])=[O:10])C(=O)C1>CS(C)=O>[OH:10][C:9]([CH2:11][CH2:12][CH2:13][CH2:14][C@H:15]1[C@@H:16]2[C@@H:17]([NH:20][C:21]([NH:23]2)=[O:22])[CH2:18][S:19]1)=[O:8] | 1 |
Cl.Cl.NC1CNC1.NC1=C2C(C(=CN(C2=C(C(=C1F)F)F)C1=NC(=C(C=C1F)F)N)C(=O)O)=O>N(C)(C)C=O.CN1CCCC1>NC1=C2C(C(=CN(C2=C(C(=C1F)N1CC(C1)N)F)C1=NC(=C(C=C1F)F)N)C(=O)O)=O | 3 |
C(C)OC(COC1=C(C=C(C=C1)S)C)=O.BrCC1=NC(=CC=C1)C1=CC=C(C=C1)C(F)(F)F>>CC1=C(C=CC(=C1)SCC1=NC(=CC=C1)C1=CC=C(C=C1)C(F)(F)F)OCC(=O)OCC | 5 |
FC(O[C@H]1C[C@H](N(CC1)[C@H]1CCOC2=CC(=C(C=C12)F)S(=O)(=O)N(C1=NC=NC=C1)CC1=C(C=C(C=C1)OC)OC)C1=CC=C(C=C1)F)F>C(=O)O>FC(O[C@H]1C[C@H](N(CC1)C1CCOC2=CC(=C(C=C12)F)S(=O)(=O)NC1=NC=NC=C1)C1=CC=C(C=C1)F)F | 3 |
C(O)(=O)[C@H](C1C=CC=CC=1)O.[NH2:12][C@@H:13]1[C:21]2[C:16](=[CH:17][CH:18]=[C:19]([N+:22]([O-:24])=[O:23])[CH:20]=2)[CH2:15][C@H:14]1[OH:25].[OH-].[Na+].[C:28]1([C:37]2[CH:42]=[CH:41][CH:40]=[CH:39][CH:38]=2)[CH:33]=[CH:32][C:31]([C:34](Cl)=[O:35])=[CH:30][CH:29]=1>C1(C)C=CC=CC=1>[N+:22]([C:19]1[CH:20]=[C:21]2[C:16]([CH2:15][CH:14]([OH:25])[C@@H:13]2[NH:12][C:34]([C:31]2[CH:32]=[CH:33][C:28]([C:37]3[CH:38]=[CH:39][CH:40]=[CH:41][CH:42]=3)=[CH:29][CH:30]=2)=[O:35])=[CH:17][CH:18]=1)([O-:24])=[O:23] | 1 |
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