smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
BrC1=C(C=CC(=C1)F)NC(=O)C=1CN(CCC1)C(=O)OC(C)(C)C>N(C)(C)C=O.[Pd+2].[O-]C(=O)C.[O-]C(=O)C.CCN(CC)CC.[Br-].C(CCC)[N+](CCCC)(CCCC)CCCC>FC=1C=C2C(=CC1)NC(C21CN(C=CC1)C(=O)OC(C)(C)C)=O | 3 |
O=C1N(CCC1)CCCCCCC=1N=C(N(C1)C1=CC=CC=C1)NC(=O)C=1C=C(C=CC1)C=1C=CC(=NC1)NC(OC(C)(C)C)=O>ClCCl.C(=O)(C(F)(F)F)O.C(O)([O-])=O.[Na+]>NC1=CC=C(C=N1)C=1C=C(C(=O)NC=2N(C=C(N2)CCCCCCN2C(CCC2)=O)C2=CC=CC=C2)C=CC1 | 3 |
[OH:1][CH2:2][CH2:3][C:4]1[CH:9]=[CH:8][C:7]([OH:10])=[CH:6][CH:5]=1.C(=O)([O-])[O-].[K+].[K+].[CH2:17](Br)[C:18]1[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=1>CC(C)=O>[CH2:17]([O:10][C:7]1[CH:8]=[CH:9][C:4]([CH2:3][CH2:2][OH:1])=[CH:5][CH:6]=1)[C:18]1[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=1 | 2 |
NC1=NC(=CC=C1)Br>>BrC=1C=CC(=NC1Br)N | 5 |
O1C2=C(OCC1)C=C(C=C2)C(CC(=O)OCC)=O.O1CCN(CC1)C1=CC=C(C=N1)C=1C=NNC1N>C(C)(=O)O>O1C2=C(OCC1)C=C(C=C2)C=2NC=1N(C(C2)=O)N=CC1C=1C=NC(=CC1)N1CCOCC1 | 3 |
ClCC(=O)Cl.N[C@@H](C)CO>O.ClCCl.[OH-].[Na+]>ClCC(=O)N[C@H](CO)C | 3 |
COC1=C2C=CNC2=CC=C1>N(C)(C)C=O.C(C(=O)Cl)(=O)Cl.ClCCCl>C(=O)C1=CNC2=CC=CC(=C12)OC | 3 |
Cl.[NH2:2][CH2:3][C:4]([O:6][CH2:7][CH3:8])=[O:5].[CH3:9][C:10]1([CH3:21])[CH2:15][CH2:14][C:13](=O)[CH:12]([CH2:17][C:18](=O)[CH3:19])[CH2:11]1.C(=O)(O)[O-].[Na+]>ClCCl>[CH3:19][C:18]1[N:2]([CH2:3][C:4]([O:6][CH2:7][CH3:8])=[O:5])[C:13]2[CH2:14][CH2:15][C:10]([CH3:21])([CH3:9])[CH2:11][C:12]=2[CH:17]=1 | 2 |
C(#N)COC(C=CC=1OC2=C(C1)C=CC=C2)=O>O.CO[H].O.NN>O1C(=CC2=C1C=CC=C2)C=CC(=O)NN | 3 |
[Cl:1][C:2]1[CH:3]=[C:4]([CH2:12][N:13]2[CH2:18][CH2:17][N:16]([CH3:19])[CH2:15][CH2:14]2)[C:5]2[O:9][CH2:8][C:7](=[O:10])[C:6]=2[CH:11]=1.[NH:20]1[C:28]2[C:23](=[CH:24][CH:25]=[CH:26][CH:27]=2)[C:22]([CH:29]=O)=[N:21]1>CO.N1CCCCC1>[NH:20]1[C:28]2[C:23](=[CH:24][CH:25]=[CH:26][CH:27]=2)[C:22](/[CH:29]=[C:8]2\[O:9][C:5]3[C:4]([CH2:12][N:13]4[CH2:14][CH2:15][N:16]([CH3:19])[CH2:17][CH2:18]4)=[CH:3][C:2]([Cl:1])=[CH:11][C:6]=3[C:7]\2=[O:10])=[N:21]1 | 1 |
C(C1=CC=CC=C1)OC(=O)C1=CC=C(C=C1)N(C(=O)C=1C2=CC=CC=C2N=C2C=CC=CC12)S(=O)(=O)C1=CC=C(C)C=C1>C(C)(=O)O.Br>Br.C(=O)(O)C1=CC=C(C=C1)N(C(=O)C=1C2=CC=CC=C2N=C2C=CC=CC12)S(=O)(=O)C1=CC=C(C)C=C1 | 3 |
Cl.NOCCO.CN1N=CC2=CC(=CC=C12)CC1=CN=C2N1N=C(C=C2)C(C)=O>C1CCCO1>OCCO\N=C(/C)\C=1C=CC=2N(N1)C(=CN2)CC=2C=C1C=NN(C1=CC2)C | 3 |
CC=1C=C(CN2C=3C(C(=CC2=O)N2[C@H](CN([C@@H](C2)CC)C(C)C=2C=C4N=CC=NC4=CC2)C)=NN(C3)C3OCCCC3)C=CC1C>CC#N.BrN1C(CCC1=O)=O>BrC1=C(C=2C(N(C1=O)CC1=CC(=C(C=C1)C)C)=CN(N2)C2OCCCC2)N2[C@H](CN([C@@H](C2)CC)C(C)C=2C=C1N=CC=NC1=CC2)C | 3 |
COS(=O)(=O)[O-].C[S+](C)C.CC=1C=C(C=O)C=CC1C>O.ClCCl.[OH-].[Na+].[Br-].C(CCC)[N+](CCCC)(CCCC)CCCC>CC=1C=C(C=CC1C)C1OC1 | 3 |
C(C)(=O)OCC1=C(C=C(C(=C1)C)COC(C)=O)OCCC(CCCC(C)C)C>>OCC1=C(C=C(C(=C1)OC)CO)OCCC(CCCC(C)C)C | 5 |
FC=1C=C(CBr)C=CC1.N1CCC2=CC=CC(=C12)CCC1=CC=C(C(=O)OC)C=C1>>FC=1C=C(CN2CCC3=CC=CC(=C23)CCC2=CC=C(C(=O)OC)C=C2)C=CC1 | 5 |
C(C)(C)(C)OC(NCCN=[N+]=[N-])=O.C(C)(=O)N1[C@H](C[C@H](C2=CC(=CC=C12)C#C)NC(OC(C)C)=O)C>>C(C)(=O)N1[C@H](C[C@H](C2=CC(=CC=C12)C=1N=NN(C1)CCNC(=O)OC(C)(C)C)NC(OC(C)C)=O)C | 5 |
N1C(CC2=CC=CC=C12)=O.C[Si](C)(C)[N-][Si](C)(C)C.[Li+].C1CCOC1.ClCCNC=1C=C2COC(C2=CC1)=O>>ClCCNC=1C=C2COC(C2=CC1)=C1C(NC2=CC=CC=C12)=O | 5 |
[C:1]([O:5][C:6](=[O:25])[NH:7][C@H:8]1[CH2:13][CH2:12][C@@H:11]([NH:14][C:15]([C:17]2[C:18](Cl)=[N:19][CH:20]=[C:21]([F:23])[CH:22]=2)=[O:16])[CH2:10][CH2:9]1)([CH3:4])([CH3:3])[CH3:2].[CH3:26][S:27][C:28]1[CH:29]=[C:30]([OH:34])[CH:31]=[CH:32][CH:33]=1.C(=O)([O-])[O-].[Cs+].[Cs+]>CN(C)C=O>[C:1]([O:5][C:6](=[O:25])[NH:7][C@H:8]1[CH2:13][CH2:12][C@@H:11]([NH:14][C:15]([C:17]2[C:18]([O:34][C:30]3[CH:31]=[CH:32][CH:33]=[C:28]([S:27][CH3:26])[CH:29]=3)=[N:19][CH:20]=[C:21]([F:23])[CH:22]=2)=[O:16])[CH2:10][CH2:9]1)([CH3:4])([CH3:3])[CH3:2] | 1 |
BrC=1C(=NC=C(C1C)C(F)(F)F)Cl.[Si](C)(C)(C(C)(C)C)OCC1=C(C=CC(=C1)F)O>O.C(C)(=O)OCC.CS(=O)C.C(=O)([O-])[O-].[Cs+].[Cs+]>BrC=1C(=NC=C(C1C)C(F)(F)F)OC1=C(C=C(C=C1)F)CO[Si](C)(C)C(C)(C)C | 3 |
C1(=CC=CC=C1)C1=CC(=NO1)C(=O)O>>C1(=CC=CC=C1)C1=CC(=NO1)CO | 5 |
CC1=CC=C(C=C1)S(=O)(=O)N1CC2=CC=C(C=C2C1)[Sn](CCCC)(CCCC)CCCC.BrC1=C(C=C2C(C(=CN(C2=C1OC)C1CC1)C(=O)OCC)=O)F>C1(=CC=CC=C1)C.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]>C1(CC1)N1C=C(C(C2=CC(=C(C(=C12)OC)C=1C=C2CN(CC2=CC1)S(=O)(=O)C1=CC=C(C)C=C1)F)=O)C(=O)OCC | 3 |
BrC=1C(=NC=C(C1)[N+](=O)[O-])OC1=C(C=C(C=C1)F)F>O.[Fe].[Cl-].[NH4+]>BrC=1C=C(C=NC1OC1=C(C=C(C=C1)F)F)N | 3 |
[C:1]([C:4]1[CH:5]=[C:6]([S:11](Cl)(=[O:13])=[O:12])[CH:7]=[CH:8][C:9]=1[Cl:10])(=[O:3])[CH3:2].[Br:15][C:16]1[C:21]([NH2:22])=[CH:20][C:19]([Cl:23])=[CH:18][N:17]=1>N1C=CC=CC=1>[C:1]([C:4]1[CH:5]=[C:6]([S:11]([NH:22][C:21]2[C:16]([Br:15])=[N:17][CH:18]=[C:19]([Cl:23])[CH:20]=2)(=[O:13])=[O:12])[CH:7]=[CH:8][C:9]=1[Cl:10])(=[O:3])[CH3:2] | 1 |
C(C=C)I.C(C)C=1C(=CN=C2C=CC(NC12)=O)F>N(C)(C)C=O.[H-].[Na+]>C(C)C=1C(=CN=C2C=CC(=NC12)OCC=C)F | 3 |
CC(CC)N.ClCC(CCl)(O)C1=CC(=CC(=C1)F)Cl>>C(C)(CC)N1CC(C1)(O)C1=CC(=CC(=C1)F)Cl | 5 |
NC1=C(C=C(OCCCC(=O)OCC)C=C1[N+](=O)[O-])C>CCO[H].[HH].[HH].[Pd]>NC=1C=C(OCCCC(=O)OCC)C=C(C1N)C | 3 |
[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][CH:11]([C:14]([O:16][CH2:17][CH3:18])=[O:15])[CH2:10][CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].C[Si]([N-][Si](C)(C)C)(C)C.[Na+].[N+:29]([C:32]1[CH:39]=[CH:38][CH:37]=[CH:36][C:33]=1[CH2:34]Br)([O-:31])=[O:30]>C1COCC1>[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][C:11]([CH2:34][C:33]2[CH:36]=[CH:37][CH:38]=[CH:39][C:32]=2[N+:29]([O-:31])=[O:30])([C:14]([O:16][CH2:17][CH3:18])=[O:15])[CH2:10][CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2] | 1 |
O1CC(C1)=O.C1(CC1)NCCCNC1=C(C=C(C=C1)S(=O)(=O)N)[N+](=O)[O-]>ClCCl.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+]>C1(CC1)N(CCCNC1=C(C=C(C=C1)S(=O)(=O)N)[N+](=O)[O-])C1COC1 | 3 |
C1(=CC=CC=C1)S(=O)(=O)N1C(=CC=2C1=NC=C(C2)C#CCOC)C(=CC2CCCC2)C2=CC=C(C=C2)S(=O)(=O)C>C1CCCO1.[F-].C(CCC)[N+](CCCC)(CCCC)CCCC>C1(CCCC1)C=C(C1=CC=C(C=C1)S(=O)(=O)C)C1=CC=2C(=NC=C(C2)C#CCOC)N1 | 3 |
[F:1][C:2]1[C:55]([F:56])=[C:54]([O:57][CH3:58])[CH:53]=[CH:52][C:3]=1[CH2:4][C:5]1[C:6]([O:11][C@:12]2([O:42][C@H:41]([CH2:43][O:44][CH2:45][C:46]3[CH:51]=[CH:50][CH:49]=[CH:48][CH:47]=3)[C@@H:32]([O:33][CH2:34][C:35]3[CH:40]=[CH:39][CH:38]=[CH:37][CH:36]=3)[C@H:23]([O:24][CH2:25][C:26]3[CH:31]=[CH:30][CH:29]=[CH:28][CH:27]=3)[C@H:14]2[O:15][CH2:16][C:17]2[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=2)[OH:13])=[N:7][NH:8][C:9]=1[CH3:10].C([O-])([O-])=O.[Cs+].[Cs+].[CH:65](I)([CH3:67])[CH3:66].O>CN(C=O)C>[F:1][C:2]1[C:55]([F:56])=[C:54]([O:57][CH3:58])[CH:53]=[CH:52][C:3]=1[CH2:4][C:5]1[C:6]([O:11][C@:12]2([O:42][C@H:41]([CH2:43][O:44][CH2:45][C:46]3[CH:47]=[CH:48][CH:49]=[CH:50][CH:51]=3)[C@@H:32]([O:33][CH2:34][C:35]3[CH:40]=[CH:39][CH:38]=[CH:37][CH:36]=3)[C@H:23]([O:24][CH2:25][C:26]3[CH:27]=[CH:28][CH:29]=[CH:30][CH:31]=3)[C@H:14]2[O:15][CH2:16][C:17]2[CH:18]=[CH:19][CH:20]=[CH:21][CH:22]=2)[OH:13])=[N:7][N:8]([CH:65]([CH3:67])[CH3:66])[C:9]=1[CH3:10] | 2 |
[NH2:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2([CH3:16])[CH2:12][CH2:11][N:10]([CH2:13][CH3:14])[C:9]2=[O:15])=[CH:4][CH:3]=1.[N:17]([O-])=O.[Na+].C(Cl)Cl>Cl.O>[CH2:13]([N:10]1[CH2:11][CH2:12][C:8]([C:5]2[CH:6]=[CH:7][C:2]([NH:1][NH2:17])=[CH:3][CH:4]=2)([CH3:16])[C:9]1=[O:15])[CH3:14] | 1 |
BrCC(C)=O.C(C)(C)(C)OC(=O)N(C1=CC(=NC(=N1)C(N)=S)OC1CN(C1)C(=O)OC(C)(C)C)C1CCC(CC1)(F)F>C1CCCO1>C(C)(C)(C)OC(=O)N(C1=CC(=NC(=N1)C=1SC=C(N1)C)OC1CN(C1)C(=O)OC(C)(C)C)C1CCC(CC1)(F)F | 3 |
C([C@@H]([C@H](C(O)=O)O)O)(O)=O.[CH:11]1([C@@H:17]2[C:26]3[C:21](=[CH:22][CH:23]=[CH:24][CH:25]=3)[CH2:20][CH2:19][NH:18]2)[CH2:16][CH2:15][CH2:14][CH2:13][CH2:12]1.C(=O)(O)[O-].[Na+].[Cl:32][CH2:33][C:34](Cl)=[O:35]>CCOC(C)=O>[Cl:32][CH2:33][C:34]([N:18]1[CH2:19][CH2:20][C:21]2[C:26](=[CH:25][CH:24]=[CH:23][CH:22]=2)[C@H:17]1[CH:11]1[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]1)=[O:35] | 1 |
C(CO)O.BrC=1C(=CC=2C(CCC(C2C1)(C)C)(C)C)C=O>C1=CC=CC=C1.O.C1(=CC=C(C=C1)S(=O)(=O)O)C>O1C(OCC1)C1=CC=2C(CCC(C2C=C1Br)(C)C)(C)C | 3 |
[CH:1]([S:4][C:5]1[S:6][C:7]([S:10]([CH:13]([CH3:15])[CH3:14])(=[O:12])=[O:11])=[N:8][N:9]=1)([CH3:3])[CH3:2].ClC1C=CC=C(C(OO)=[O:24])C=1>ClCCl>[CH:1]([S:4]([C:5]1[S:6][C:7]([S:10]([CH:13]([CH3:15])[CH3:14])(=[O:12])=[O:11])=[N:8][N:9]=1)=[O:24])([CH3:3])[CH3:2] | 1 |
[F:1][C:2]1[CH:7]=[CH:6][C:5]([C:8](=[O:20])[NH:9][CH:10]2[CH2:18][C:17]3[C:12](=[CH:13][CH:14]=[CH:15][CH:16]=3)[CH:11]2[OH:19])=[CH:4][C:3]=1[NH:21][C:22]([C:24]1[N:28]2[CH:29]=[CH:30][C:31](Br)=[CH:32][C:27]2=[N:26][CH:25]=1)=[O:23].CC1(C)C(C)(C)OB([N:42]2[CH:46]=[CH:45][CH:44]=[N:43]2)O1.[C:48](=O)([O-])[O-].[Cs+].[Cs+].C(Cl)Cl>CN(C=O)C.CO.CCOC(C)=O>[F:1][C:2]1[CH:7]=[CH:6][C:5]([C:8](=[O:20])[NH:9][CH:10]2[CH2:18][C:17]3[C:12](=[CH:13][CH:14]=[CH:15][CH:16]=3)[CH:11]2[OH:19])=[CH:4][C:3]=1[NH:21][C:22]([C:24]1[N:28]2[CH:29]=[CH:30][C:31]([C:46]3[N:42]([CH3:48])[N:43]=[CH:44][CH:45]=3)=[CH:32][C:27]2=[N:26][CH:25]=1)=[O:23] | 2 |
C(C1=CC=CC=C1)SC=1C=C(C=2N(C1)C(=CN2)C=2SC(=NN2)C(F)F)Cl>CC#N.O.C(C)(=O)O.CC1(C(=O)N(C(=O)N1Br)Br)C>ClC=1C=2N(C=C(C1)S(=O)(=O)Br)C(=CN2)C=2SC(=NN2)C(F)F | 3 |
Br[C:2]1[CH:3]=[C:4]([C:9]2[CH:13]=[CH:12][S:11][CH:10]=2)[CH:5]=[C:6]([F:8])[CH:7]=1.C(OC([N:21]1[CH2:26][CH2:25][NH:24][C@H:23]([CH3:27])[CH2:22]1)=O)(C)(C)C.CC(C)([O-])C.[Na+].P(C(C)(C)C)(C(C)(C)C)C(C)(C)C.CCCCCC>C1(C)C=CC=CC=1.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.[Pd].[Pd]>[F:8][C:6]1[CH:7]=[C:2]([N:24]2[CH2:25][CH2:26][NH:21][CH2:22][C@H:23]2[CH3:27])[CH:3]=[C:4]([C:9]2[CH:13]=[CH:12][S:11][CH:10]=2)[CH:5]=1 | 2 |
[C:1]1([CH3:51])[CH:6]=[CH:5][C:4]([S:7]([NH:10][CH2:11][CH2:12][N:13]([S:41]([C:44]2[CH:49]=[CH:48][C:47]([CH3:50])=[CH:46][CH:45]=2)(=[O:43])=[O:42])[CH2:14][CH2:15][CH2:16][N:17]([S:31]([C:34]2[CH:39]=[CH:38][C:37]([CH3:40])=[CH:36][CH:35]=2)(=[O:33])=[O:32])[CH2:18][CH2:19][NH:20][S:21]([C:24]2[CH:29]=[CH:28][C:27]([CH3:30])=[CH:26][CH:25]=2)(=[O:23])=[O:22])(=[O:9])=[O:8])=[CH:3][CH:2]=1.[H-].[Na+].[CH3:54][N:55]([CH2:59][CH2:60]Cl)[CH2:56][CH2:57]Cl>CN(C=O)C>[CH3:54][N:55]1[CH2:59][CH2:60][N:10]([S:7]([C:4]2[CH:5]=[CH:6][C:1]([CH3:51])=[CH:2][CH:3]=2)(=[O:8])=[O:9])[CH2:11][CH2:12][N:13]([S:41]([C:44]2[CH:45]=[CH:46][C:47]([CH3:50])=[CH:48][CH:49]=2)(=[O:43])=[O:42])[CH2:14][CH2:15][CH2:16][N:17]([S:31]([C:34]2[CH:39]=[CH:38][C:37]([CH3:40])=[CH:36][CH:35]=2)(=[O:32])=[O:33])[CH2:18][CH2:19][N:20]([S:21]([C:24]2[CH:29]=[CH:28][C:27]([CH3:30])=[CH:26][CH:25]=2)(=[O:23])=[O:22])[CH2:57][CH2:56]1 | 1 |
C(C)(=O)NCC(=O)O.CC=1C=C(C(=O)NN)C=CC1[N+](=O)[O-]>ClCCl.CCN(CC)CC.Cl.CN(CCCN=C=NCC)C>CC=1C=C(C(=O)NNC(CNC(C)=O)=O)C=CC1[N+](=O)[O-] | 3 |
ClC=1C=2N(C=CC1)C=C(N2)C2=CC(=CC=C2)OC>>ClC=1C=2N(C=CC1)C(=C(N2)C2=CC(=CC=C2)OC)C=O | 5 |
FC1=CC=C(C=C1)C=1C=C(N(C1)C(=O)OC(C)(C)C)C(=O)OC>CO[H].C(=O)(C(F)(F)F)O>FC1=CC=C(C=C1)C=1C=C(NC1)C(=O)OC | 3 |
C(C)OCCOCCOC=1C=CC(=NC1)CC(C(=O)OC(C)(C)C)N1CCN(CCN(CCN(CC1)CC(OC(C)(C)C)=O)CC(OC(C)(C)C)=O)CC(=O)OC(C)(C)C>CC#N.O.C(=O)O>C(C)OCCOCCOC=1C=CC(=NC1)CC(C(=O)O)N1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O | 3 |
BrC1=CC(=C(C(=O)NC(C)(C)C)C=C1)F>N(C)(C)C=O.[Cu+].[C-]#N>C(C)(C)(C)NC(C1=C(C=C(C=C1)C#N)F)=O | 3 |
OC1(CN(CC1)C(=O)OC(C)(C)C)C1=CC=CC=C1>C1(=CC=CC=C1)C.[H-].[Na+].BrCC(=O)OC>COC(COC1(CN(CC1)C(=O)OC(C)(C)C)C1=CC=CC=C1)=O | 3 |
C(#N)C1=NC2=CC=CC=C2C=C1>CO[H].[HH].N.[Al].[Ni]>N1=C(C=CC2=CC=CC=C12)CN | 3 |
Br[C:2]1(Br)[C:6]2[CH:7]=[N:8][C:9]([Cl:11])=[CH:10][C:5]=2[N:4]([CH2:12][O:13][CH2:14][CH2:15][Si:16]([CH3:19])([CH3:18])[CH3:17])[C:3]1=[O:20].[NH4+].[Cl-]>C1COCC1.[Zn]>[Cl:11][C:9]1[N:8]=[CH:7][C:6]2[CH2:2][C:3](=[O:20])[N:4]([CH2:12][O:13][CH2:14][CH2:15][Si:16]([CH3:18])([CH3:17])[CH3:19])[C:5]=2[CH:10]=1 | 1 |
ClC1=NC(=C(C(=N1)Cl)C=O)Cl.Cl.C1(CC1)NN>CCO[H].C(C)(C)N(C(C)C)CC>ClC1=C2C(=NC(=N1)Cl)N(N=C2)C2CC2 | 3 |
[Br:1][C:2]1[CH:3]=[N:4][CH:5]=[C:6]([CH2:9][O:10][CH3:11])[C:7]=1[CH3:8].Br[C:13]1C(C)=C(CO)C=NC=1.[H-].[Na+].ICC>>[Br:1][C:2]1[CH:3]=[N:4][CH:5]=[C:6]([CH2:9][O:10][CH2:11][CH3:13])[C:7]=1[CH3:8] | 2 |
C(C=C)(=O)O.N12CC(C(CC1)CC2)O.N12C(CC(CC1)CC2)O>>C(=O)([O-])CC[N+]12CCC(CC1)CC2 | 5 |
N(=[N+]=[N-])CCCCCC(=O)O>N(C)(C)C=O.ClCCl.C(=O)(C(F)(F)F)OC(=O)C(F)(F)F.N1=C(C=C(C=C1C)C)C.ON1C(CCC1=O)=O>O=C1N(C(CC1)=O)OC(CCCCCN=[N+]=[N-])=O | 3 |
[CH3:1][O:2][C:3]1[CH:13]=[CH:12][C:11]([O:14][CH3:15])=[CH:10][C:4]=1[CH:5]=[CH:6][C:7](O)=[O:8].C(Cl)(=O)C(Cl)=O.C(=O)([O-])[O-].[Na+].[Na+].Cl.[CH3:29][NH:30][OH:31].Cl>CN(C)C=O.ClCCl.CC(C)=O.C(OCC)(=O)C.CCCCCC.O>[CH3:1][O:2][C:3]1[CH:13]=[CH:12][C:11]([O:14][CH3:15])=[CH:10][C:4]=1[CH:5]=[CH:6][C:7]([N:30]([CH3:29])[OH:31])=[O:8] | 1 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.NCCCO>C1CCCO1.[OH-].[Na+]>C(C)(C)(C)OC(=O)NCCCO | 3 |
[Cl:1][C:2]1[N:7]=[CH:6][C:5]([C:8]([N:10]2[CH2:15][CH2:14][N:13]([S:16]([C:19]3[CH:24]=[CH:23][C:22]([C:25]([F:28])([F:27])[F:26])=[CH:21][CH:20]=3)(=[O:18])=[O:17])[CH2:12][C@@H:11]2[CH3:29])=[O:9])=[CH:4][CH:3]=1.[NH:30]1[CH2:35][CH2:34][O:33][CH2:32][CH2:31]1>C(O)(C)C>[ClH:1].[CH3:29][C@H:11]1[CH2:12][N:13]([S:16]([C:19]2[CH:24]=[CH:23][C:22]([C:25]([F:28])([F:27])[F:26])=[CH:21][CH:20]=2)(=[O:18])=[O:17])[CH2:14][CH2:15][N:10]1[C:8]([C:5]1[CH:4]=[CH:3][C:2]([N:30]2[CH2:35][CH2:34][O:33][CH2:32][CH2:31]2)=[N:7][CH:6]=1)=[O:9] | 1 |
Cl[C:2]1[N:7]=[CH:6][N:5]=[C:4]2[N:8]([C:11]3[CH:16]=[CH:15][C:14]([O:17][CH3:18])=[CH:13][CH:12]=3)[N:9]=[CH:10][C:3]=12.[NH2:19][C:20]1[CH:21]=[C:22]([NH:27][C:28](=[O:40])[C:29]2[CH:34]=[C:33]([C:35]([F:38])([F:37])[F:36])[CH:32]=[C:31]([F:39])[CH:30]=2)[CH:23]=[CH:24][C:25]=1[CH3:26]>C(O)(C)(C)C>[F:39][C:31]1[CH:30]=[C:29]([CH:34]=[C:33]([C:35]([F:36])([F:37])[F:38])[CH:32]=1)[C:28]([NH:27][C:22]1[CH:23]=[CH:24][C:25]([CH3:26])=[C:20]([NH:19][C:2]2[N:7]=[CH:6][N:5]=[C:4]3[N:8]([C:11]4[CH:16]=[CH:15][C:14]([O:17][CH3:18])=[CH:13][CH:12]=4)[N:9]=[CH:10][C:3]=23)[CH:21]=1)=[O:40] | 2 |
[N:1]([O-:3])=O.[Na+].[CH3:5][S:6][C:7](=[O:12])[CH2:8][C:9](=[O:11])[CH3:10].S(=O)(=O)(O)O.[C:18](=O)([O-])[O-].[Na+].[Na+].S(OC)(OC)(=O)=O>C(OCC)(=O)C.CO.O>[CH3:5][S:6][C:7](=[O:12])[C:8](=[N:1][O:3][CH3:18])[C:9](=[O:11])[CH3:10] | 1 |
CC(C=O)(C)C.COC(CCN)=O>CO[H].C(#N)[BH3-].[Na+]>COC(CCNCC(C)(C)C)=O | 3 |
[OH-].[Na+].[Br:3][C:4]1[CH:9]=[CH:8][C:7]([CH:10]([CH:16]2[CH2:20][CH2:19][CH2:18][CH2:17]2)[C:11]([O:13]CC)=[O:12])=[CH:6][CH:5]=1.O.Cl>CO>[Br:3][C:4]1[CH:5]=[CH:6][C:7]([CH:10]([CH:16]2[CH2:20][CH2:19][CH2:18][CH2:17]2)[C:11]([OH:13])=[O:12])=[CH:8][CH:9]=1 | 2 |
CCOC(=O)CP(=O)(OCC)OCC.BrC1=CC=C(C=O)C=C1>N(C)(C)C=O.CC(C)(C)[O-].[Na+]>BrC1=CC=C(C=C1)C=C(CO)C | 3 |
[Cl:1][C:2]1[CH:3]=[C:4]2[C:8](=[C:9]([CH:11]=[O:12])[CH:10]=1)[NH:7][N:6]=[CH:5]2.[Br:13]Br>C(O)(=O)C.C(Cl)Cl>[Br:13][C:5]1[C:4]2[C:8](=[C:9]([CH:11]=[O:12])[CH:10]=[C:2]([Cl:1])[CH:3]=2)[NH:7][N:6]=1 | 1 |
[F:1][C:2]1[CH:3]=[C:4]([C@H:8]2[CH2:12][CH2:11][CH2:10][N:9]2[C:13]2[CH:14]=[CH:15][C:16]3[N:17]([C:19]([C:22]4[N:27]=[C:26](O)[CH:25]=[CH:24][CH:23]=4)=[CH:20][N:21]=3)[N:18]=2)[CH:5]=[CH:6][CH:7]=1.P(Br)(Br)[Br:30]>>[Br:30][C:26]1[N:27]=[C:22]([C:19]2[N:17]3[N:18]=[C:13]([N:9]4[CH2:10][CH2:11][CH2:12][C@@H:8]4[C:4]4[CH:5]=[CH:6][CH:7]=[C:2]([F:1])[CH:3]=4)[CH:14]=[CH:15][C:16]3=[N:21][CH:20]=2)[CH:23]=[CH:24][CH:25]=1 | 1 |
[Si](C)(C)(C(C)(C)C)OCC(CO)(C)OC1=NN(C=C1)C(=O)OC(C)(C)C>ClCCl.CCN(CC)CC.CS(=O)(=O)Cl>[Si](C)(C)(C(C)(C)C)OCC(COS(=O)(=O)C)(OC1=NN(C=C1)C(=O)OC(C)(C)C)C | 3 |
ClC=1C(=NC=C(C1)Cl)C([C@H](C)NC(OC(C)(C)C)=O)=O>>ClC=1C(=NC=C(C1)Cl)C([C@H](C)NC(OC(C)(C)C)=O)=NO | 5 |
[CH3:1][Si]([N-][Si](C)(C)C)(C)C.[K+].[C:11]1([C:21]([N:23]2[CH2:27][CH:26]([CH:28]=O)[CH:25]([CH2:30][N:31]3[CH2:36][CH2:35][CH:34]([C:37]4[CH:42]=[CH:41][C:40]([F:43])=[CH:39][CH:38]=4)[CH2:33][CH2:32]3)[CH2:24]2)=[O:22])[C:20]2[C:15](=[CH:16][CH:17]=[CH:18][CH:19]=2)[CH:14]=[CH:13][CH:12]=1>[Br-].C[P+](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1.C1COCC1>[C:11]1([C:21]([N:23]2[CH2:27][CH:26]([CH:28]=[CH2:1])[CH:25]([CH2:30][N:31]3[CH2:32][CH2:33][CH:34]([C:37]4[CH:42]=[CH:41][C:40]([F:43])=[CH:39][CH:38]=4)[CH2:35][CH2:36]3)[CH2:24]2)=[O:22])[C:20]2[C:15](=[CH:16][CH:17]=[CH:18][CH:19]=2)[CH:14]=[CH:13][CH:12]=1 | 1 |
COC=1C=C(C=CC1B1OC(C(O1)(C)C)(C)C)O.ClC1=CC=C(N=N1)N(C1CC(NC(C1)(C)C)(C)C)C>O.O1CCOCC1.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(O)([O-])=O.[Na+]>COC=1C=C(C=CC1C=1N=NC(=CC1)N(C1CC(NC(C1)(C)C)(C)C)C)O | 3 |
ClCCCS(=O)(=O)N1CCOCC1.OC1=C(C=C(C=C1)NC1=NC=CC(=N1)C=1C=CC(=C(C#N)C1)OC1CCOCC1)OC>>COC=1C=C(C=CC1OCCCS(=O)(=O)N1CCOCC1)NC1=NC=CC(=N1)C=1C=CC(=C(C#N)C1)OC1CCOCC1 | 5 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.Cl.ClC1=CC=C(C=C1)C(=O)C1CCNCC1>CO[H].CCN(CC)CC>C(C)(C)(C)OC(=O)N1CCC(CC1)C(C1=CC=C(C=C1)Cl)=O | 3 |
C(C1=CC=CC=C1)OC1=CC=C2C(=CC(=CC2=C1)C(=O)OCC)OCOCC[Si](C)(C)C>CCO[H].[HH].C(C)(=O)OCC.[Pd]>OC1=CC=C2C(=CC(=CC2=C1)C(=O)OCC)OCOCC[Si](C)(C)C | 3 |
[F:1][C:2]1[C:10]([C:11]([F:14])([F:13])[F:12])=[CH:9][CH:8]=[CH:7][C:3]=1[C:4](O)=[O:5].O=S(Cl)Cl.Cl.[CH3:20][NH:21][O:22][CH3:23].N1C=CC=CC=1>C(Cl)Cl>[F:1][C:2]1[C:10]([C:11]([F:14])([F:13])[F:12])=[CH:9][CH:8]=[CH:7][C:3]=1[C:4]([N:21]([O:22][CH3:23])[CH3:20])=[O:5] | 1 |
Cl[C:2]1N=C2C(=C[C:14]=1OCC)C=C1N2C(C)CNC1.[C:19]([O:23][C:24]([N:26]1[CH2:38][C@@H:37]([CH3:39])[N:36]2[C@H:28]([CH2:29][C:30]3[C:35]2=[N:34][C:33]([CH2:40][O:41][CH2:42][CH:43]2[CH2:45][CH2:44]2)=[C:32]([CH2:46][OH:47])[CH:31]=3)[CH2:27]1)=[O:25])([CH3:22])([CH3:21])[CH3:20].[H-].[Na+].C(Br)C>>[C:19]([O:23][C:24]([N:26]1[CH2:38][C@@H:37]([CH3:39])[N:36]2[C@H:28]([CH2:29][C:30]3[C:35]2=[N:34][C:33]([CH2:40][O:41][CH2:42][CH:43]2[CH2:44][CH2:45]2)=[C:32]([CH2:46][O:47][CH2:2][CH3:14])[CH:31]=3)[CH2:27]1)=[O:25])([CH3:20])([CH3:21])[CH3:22] | 1 |
[CH2:1]([C:3]1[O:4][C:5]2[CH:11]=[C:10]([C:12]([O:14][CH2:15][CH3:16])=[O:13])[CH:9]=[C:8]([OH:17])[C:6]=2[CH:7]=1)[CH3:2].I[C:19]1[CH:29]=[CH:28][C:22]([C:23]([N:25]([CH3:27])[CH3:26])=[O:24])=[CH:21][CH:20]=1.C([O-])([O-])=O.[Cs+].[Cs+]>N1C=CC=CC=1.[Cu]I>[CH3:26][N:25]([CH3:27])[C:23]([C:22]1[CH:28]=[CH:29][C:19]([O:17][C:8]2[C:6]3[CH:7]=[C:3]([CH2:1][CH3:2])[O:4][C:5]=3[CH:11]=[C:10]([C:12]([O:14][CH2:15][CH3:16])=[O:13])[CH:9]=2)=[CH:20][CH:21]=1)=[O:24] | 1 |
OC1=C(C=CC=C1)C1=CC(=CN=N1)C1=CC=C(C=C1)NC1CCN(CC1)CC(=O)OC(C)(C)C>ClCCl.Cl.O1CCOCC1>Cl.OC1=C(C=CC=C1)C1=CC(=CN=N1)C1=CC=C(C=C1)NC1CCN(CC1)CC(=O)O | 3 |
[CH3:1][C@H:2]1[C@@H:11]2[CH2:12][CH2:13][C@:14]3([CH3:18])[O:16][O:17][C@:10]42[C@H:5]([C:6]([CH3:19])=[CH:7][O:8][C@@H:9]4[O:15]3)[CH2:4][CH2:3]1.C1COCC1.O.[OH-].[K+].OO>C1COCC1>[CH3:1][C@H:2]1[C@@H:11]2[CH2:12][CH2:13][C@:14]3([CH3:18])[O:16][O:17][C@:10]42[C@H:5]([C@@H:6]([CH3:19])[CH2:7][O:8][C@@H:9]4[O:15]3)[CH2:4][CH2:3]1 | 1 |
COC=1C=C(C=O)C=C(C1OC)OC.C(CCC(=O)OCC)(=O)OCC>CCO[H].[OH-].[Na+].[H-].[Na+]>COC=1C=C(C=C(C1OC)OC)C=C(C(=O)O)CC(=O)O | 3 |
[OH:1][C:2]1[CH:3]=[C:4]([C:12]([O:14][CH3:15])=[O:13])[CH:5]=[C:6]([CH:11]=1)[C:7]([O:9][CH3:10])=[O:8].ClCCl.[CH3:19][S:20](Cl)(=[O:22])=[O:21]>N1C=CC=CC=1>[CH3:19][S:20]([O:1][C:2]1[CH:11]=[C:6]([C:7]([O:9][CH3:10])=[O:8])[CH:5]=[C:4]([CH:3]=1)[C:12]([O:14][CH3:15])=[O:13])(=[O:22])=[O:21] | 1 |
NC1=C(SC=C1)C(=O)OC.FC1=CC(=C(C=C1)S(=O)(=O)Cl)C>ClCCl.c1ccncc1>FC1=CC(=C(C=C1)S(=O)(=O)NC1=C(SC=C1)C(=O)OC)C | 3 |
FC(C=1C=C(CN2N=NC(=C2Cl)C(=O)O)C=C(C1)C(F)(F)F)(F)F.ClC1=C(CNC)C=CC=C1>>ClC1=C(CN(C(=O)C=2N=NN(C2Cl)CC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C)C=CC=C1 | 5 |
COC1=CC=C2CC(NC2=C1)=O.C(C)OC(=O)C=1NC(=C(C1C)CCC(=O)OCC)C=O>CCO[H].N1CCCCC1>C(=O)(O)CCC=1C(=C(NC1C=C1C(NC2=CC(=CC=C12)OC)=O)C(=O)O)C | 3 |
NC=1C(=C(C=CC1)CCC(=O)OC(C)(C)C)C.C1(CCCC1)C(C(=O)O)C1=CC=C(C=C1)CN1C(C2=CC=CC=C2C1=O)=O>>C1(CCCC1)C(C(=O)NC=1C(=C(C=CC1)CCC(=O)OC(C)(C)C)C)C1=CC=C(C=C1)CN1C(C2=CC=CC=C2C1=O)=O | 5 |
COCCBr.NC1=NC=C(C#N)C=C1>N(C)(C)C=O.[H-].[Na+]>COCCNC1=NC(=C(C#N)C=C1)C | 3 |
BrCC(=O)OCC.ClC1=CC=C(C=C1)S(=O)(=O)C1=C(NC2=CC=C(C=C12)C)C>>C(C)OC(CN1C(=C(C2=CC(=CC=C12)C)S(=O)(=O)C1=CC=C(C=C1)Cl)C)=O | 5 |
[C:1]([O:4][CH2:5][C@@H:6]1[C@@H:10]([O:11][C:12](=[O:14])[CH3:13])[C@@H:9]([O:15][C:16](=[O:18])[CH3:17])[C@H:8]([N:19]2[CH:27]=[N:26][C:25]3[C:20]2=[N:21][C:22]([I:29])=[N:23][C:24]=3Cl)[O:7]1)(=[O:3])[CH3:2].[CH:30]1([NH2:35])[CH2:34][CH2:33][CH2:32][CH2:31]1.C(N(C(C)C)CC)(C)C>CN(C)C=O>[C:12]([O:11][C@H:10]1[C@@H:9]([O:15][C:16](=[O:18])[CH3:17])[C@H:8]([N:19]2[CH:27]=[N:26][C:25]3[C:20]2=[N:21][C:22]([I:29])=[N:23][C:24]=3[NH:35][CH:30]2[CH2:34][CH2:33][CH2:32][CH2:31]2)[O:7][C@@H:6]1[CH2:5][O:4][C:1](=[O:3])[CH3:2])(=[O:14])[CH3:13] | 1 |
C(C1=CC=CC=C1)NC12C=CC(CC1)(CC2)C2=CC=C(C=C2)Br>O(O[H])[H].O.C1CCCO1.CCO[H].Cl.[OH-].[Na+].C(C)(=O)OCC.B.C1CCOC1>C(C1=CC=CC=C1)NC12C(CC(CC1)(CC2)C2=CC=C(C=C2)Br)O | 3 |
Cl[C:2]1[CH:7]=[C:6]([C:8]2[C:16]3[C:11](=[N:12][CH:13]=[CH:14][CH:15]=3)[NH:10][CH:9]=2)[CH:5]=[C:4]([Cl:17])[N:3]=1.[CH3:18][C:19]([CH3:24])([CH2:22][NH2:23])[CH2:20][NH2:21]>[Cl-].[Na+].O>[Cl:17][C:4]1[N:3]=[C:2]([NH:21][CH2:20][C:19]([CH3:24])([CH3:18])[CH2:22][NH2:23])[CH:7]=[C:6]([C:8]2[C:16]3[C:11](=[N:12][CH:13]=[CH:14][CH:15]=3)[NH:10][CH:9]=2)[CH:5]=1 | 1 |
[Cl-].C(C)(C)(C)OC(C[Zn+])=O.ClC=1C=C(C#N)C=CC1Br>>ClC1=C(C=CC(=C1)C#N)CC(=O)OC(C)(C)C | 5 |
[C:1]([C:3]1[N:7]([C:8]2[CH:13]=[CH:12][CH:11]=[CH:10][N:9]=2)[N:6]=[CH:5][C:4]=1[C:14]([O:16]CC)=O)#[N:2].[CH3:19][NH2:20]>CN(C=O)C>[C:1]([C:3]1[N:7]([C:8]2[CH:13]=[CH:12][CH:11]=[CH:10][N:9]=2)[N:6]=[CH:5][C:4]=1[C:14]([NH:20][CH3:19])=[O:16])#[N:2] | 1 |
Cl.ON.FC=1C(=C(C=O)C=C(C1OCCOC)OC)[N+](=O)[O-]>>FC=1C(=C(C#N)C=C(C1OCCOC)OC)[N+](=O)[O-] | 5 |
[CH3:1][NH:2][C:3]1[N:8]=[C:7]([N:9]2[CH2:14][CH2:13][N:12]([CH3:15])[CH2:11][CH2:10]2)[N:6]=[C:5]([N:16]2[CH2:21][CH2:20][N:19]([CH2:22][C:23]([O:25]CC)=[O:24])[CH2:18][CH2:17]2)[N:4]=1.[OH-].[Na+]>>[CH3:1][NH:2][C:3]1[N:8]=[C:7]([N:9]2[CH2:10][CH2:11][N:12]([CH3:15])[CH2:13][CH2:14]2)[N:6]=[C:5]([N:16]2[CH2:21][CH2:20][N:19]([CH2:22][C:23]([OH:25])=[O:24])[CH2:18][CH2:17]2)[N:4]=1 | 1 |
[F:1][C:2]1[CH:3]=[C:4]([CH:6]=[CH:7][C:8]=1[O:9][C:10]1[CH:15]=[CH:14][N:13]=[C:12]2[CH:16]=[CH:17][S:18][C:11]=12)[NH2:5].[C:19]1([CH2:25][C:26]([N:28]=[C:29]=[S:30])=[O:27])[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=1>C1COCC1>[F:1][C:2]1[CH:3]=[C:4]([NH:5][C:29]([NH:28][C:26](=[O:27])[CH2:25][C:19]2[CH:20]=[CH:21][CH:22]=[CH:23][CH:24]=2)=[S:30])[CH:6]=[CH:7][C:8]=1[O:9][C:10]1[CH:15]=[CH:14][N:13]=[C:12]2[CH:16]=[CH:17][S:18][C:11]=12 | 1 |
BrC1=NC(=CC=C1)Br>>BrC1=NC(=CC=C1)OCC | 5 |
C(#N)C1=CC=C(C[C@@]2(C(N(C=3N2C(=CN3)C(=O)NC3(CC3)C(=O)NC3(CC3)C=3C=C(C(=O)O)C=CN3)C3=CC(=CC(=C3)Cl)Cl)=O)C)C=C1>>C(C)(C)(C)OC(NCCNC(=O)C=1C=NC(=CC1)C1(CC1)NC(=O)C1(CC1)NC(=O)C1=CN=C2N1[C@](C(N2C2=CC(=CC(=C2)Cl)Cl)=O)(C)CC2=CC=C(C=C2)C#N)=O | 5 |
O=C1C[C@@H]([C@H](OC1)C1=C(C=C(C(=C1)F)F)F)NC(OC(C)(C)C)=O.FC(C=1N=CC2=C(N1)CNCC2)(F)F>CO[H].Cl.[B][B][B][B][B][B][B][B][B][B]>Cl.Cl.FC(C=1N=CC2=C(N1)CN(CC2)[C@@H]2C[C@@H]([C@H](OC2)C2=C(C=C(C(=C2)F)F)F)N)(F)F | 3 |
C(Cl)(=O)C(Cl)=O.[CH3:7][C:8]1[CH:16]=[C:15](/[CH:17]=[CH:18]/[C:19]([F:22])([F:21])[F:20])[CH:14]=[CH:13][C:9]=1[C:10]([OH:12])=O.C(N(CC)CC)C.[C:30]([O:36][CH2:37][C:38]1[S:39][C:40]2[C:45]([N:46]=1)=[CH:44][C:43]([NH2:47])=[CH:42][N:41]=2)(=[O:35])[C:31]([CH3:34])([CH3:33])[CH3:32]>C(Cl)Cl.CN(C=O)C.C1COCC1>[C:30]([O:36][CH2:37][C:38]1[S:39][C:40]2[C:45]([N:46]=1)=[CH:44][C:43]([NH:47][C:10](=[O:12])[C:9]1[CH:13]=[CH:14][C:15](/[CH:17]=[CH:18]/[C:19]([F:22])([F:21])[F:20])=[CH:16][C:8]=1[CH3:7])=[CH:42][N:41]=2)(=[O:35])[C:31]([CH3:34])([CH3:33])[CH3:32] | 2 |
ClC1=CC(=C(C=O)C=C1)F.COC1=NC=C(C(=N1)OC)N1N=C(C(=C1C(C)C)I)C(=O)OCC>>ClC1=CC(=C(C=C1)C(C=1C(=NN(C1C(C)C)C=1C(=NC(=NC1)OC)OC)C(=O)OCC)O)F | 5 |
ClC(C(=O)[O-])(F)F.[Na+].CC1(OB(OC1(C)C)C=1C=NNC1)C>CC#N.O.C1COCCOCCOCCOCCOCCO1>FC(N1N=CC(=C1)B1OC(C(O1)(C)C)(C)C)F | 3 |
[CH2:1]([C:8]1[S:12][C:11]([NH:13][C:14](=[O:29])[CH2:15][CH2:16][C:17]([C:19]2[CH:24]=[CH:23][C:22]([O:25][CH2:26][CH3:27])=[C:21](Br)[CH:20]=2)=[O:18])=[N:10][C:9]=1[C:30]1[CH:35]=[CH:34][CH:33]=[CH:32][CH:31]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C(N(CC)CC)C.[C:62]([O:66][CH2:67][CH3:68])(=[O:65])[CH:63]=[CH2:64]>CN(C=O)C.C([O-])(=O)C.[Pd+2].C([O-])(=O)C.O>[CH2:1]([C:8]1[S:12][C:11]([NH:13][C:14](=[O:29])[CH2:15][CH2:16][C:17]([C:19]2[CH:24]=[CH:23][C:22]([O:25][CH2:26][CH3:27])=[C:21](/[CH:64]=[CH:63]/[C:62]([O:66][CH2:67][CH3:68])=[O:65])[CH:20]=2)=[O:18])=[N:10][C:9]=1[C:30]1[CH:35]=[CH:34][CH:33]=[CH:32][CH:31]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 2 |
OC1=CC=C(C(=O)NCC2CNCCC2)C=C1.C(C1=CC=CC=C1)OC(=O)ONC(CCC(=O)N)=O>>C(C1=CC=CC=C1)OC(=O)N1CC(CCC1)CNC(C1=CC=C(C=C1)O)=O | 5 |
[Cl:1][C:2]1[CH:3]=[C:4]([CH:8]=[CH:9][C:10]=1[Cl:11])[C:5](Cl)=[O:6].[NH2:12][CH:13]1[C:17](=[O:18])[N:16]([C:19]2[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=2)[CH2:15][CH:14]1[C:25]([O:27][CH2:28][CH3:29])=[O:26].C(N(CC)CC)C>C(Cl)Cl>[Cl:1][C:2]1[CH:3]=[C:4]([C:5]([NH:12][C@H:13]2[C:17](=[O:18])[N:16]([C:19]3[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=3)[CH2:15][C@H:14]2[C:25]([O:27][CH2:28][CH3:29])=[O:26])=[O:6])[CH:8]=[CH:9][C:10]=1[Cl:11] | 1 |
C[O:2][C:3](=[O:32])[C:4]1[CH:9]=[CH:8][CH:7]=[C:6]([C:10]2([NH:13][C:14]([C:16]3[C:17]4[CH:24]=[N:23][N:22]([C:25]5[CH:30]=[CH:29][C:28]([F:31])=[CH:27][CH:26]=5)[C:18]=4[CH:19]=[N:20][CH:21]=3)=[O:15])[CH2:12][CH2:11]2)[CH:5]=1.O[Li].O.C(O)(=O)C>C1COCC1.CO.O>[F:31][C:28]1[CH:27]=[CH:26][C:25]([N:22]2[C:18]3[CH:19]=[N:20][CH:21]=[C:16]([C:14]([NH:13][C:10]4([C:6]5[CH:5]=[C:4]([CH:9]=[CH:8][CH:7]=5)[C:3]([OH:32])=[O:2])[CH2:12][CH2:11]4)=[O:15])[C:17]=3[CH:24]=[N:23]2)=[CH:30][CH:29]=1 | 1 |
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