smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.BrC=1C=CC(=C(N)C1)C.CC1(OB(OC1(C)C)C=1C=NC=CC1)C>O.C([O-])([O-])=O.[Na+].[Na+].C(C)(C)N(C(C)C)CC.COCCOC.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>CC1=C(C=C(N)C=C1)C=1C=NC=CC1 | 3 |
C(C)(=O)[O-].[Br-].C(C)(C)(C)[Zn+2].BrC=1C=C2C=CC=NC2=CC1C>c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>C(C)(C)(C)OC(CC=1C=C2C=CC=NC2=CC1C)=O | 3 |
FC=1C=C(C=CC1OC1=C2C(=NC=C1)N(N=C2C2CCNCC2)CC2=CC=C(C=C2)OC)NC(=O)C=2C(N(N=CC2)C2=CC=C(C=C2)F)=O>>FC=1C=C(C=CC1OC1=C2C(=NC=C1)N(N=C2C2CCN(CC2)C)CC2=CC=C(C=C2)OC)NC(=O)C=2C(N(N=CC2)C2=CC=C(C=C2)F)=O | 5 |
ClC=1N(C=C(N1)[N+](=O)[O-])CCC(COC1=CC=C(C=C1)N1CCC(CC1)CC=1OC2=C(C1)C=C(C=C2)OC(F)(F)F)O>CN1C(CCC1)=O.CC(C)(C)[O-].[Na+]>[N+](=O)([O-])C=1N=C2OC(CCN2C1)COC1=CC=C(C=C1)N1CCC(CC1)CC=1OC2=C(C1)C=C(C=C2)OC(F)(F)F | 3 |
[CH3:1][C:2]1[NH:3][C:4]2[C:9]([C:10]=1[CH2:11][C:12]([OH:14])=O)=[CH:8][CH:7]=[CH:6][CH:5]=2.[CH3:15][O:16][CH:17]1[CH2:20][NH:19][CH2:18]1.C1(N)CC1>>[CH3:15][O:16][CH:17]1[CH2:20][N:19]([C:12](=[O:14])[CH2:11][C:10]2[C:9]3[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=3)[NH:3][C:2]=2[CH3:1])[CH2:18]1 | 2 |
Cl.C([N:9]([C@@H:21]([CH2:23][CH:24]([C:33]1[CH:38]=[CH:37][C:36]([O:39][CH3:40])=[CH:35][CH:34]=1)[C:25]1[CH:30]=[CH:29][C:28]([O:31][CH3:32])=[CH:27][CH:26]=1)[CH3:22])[CH2:10][C@H:11]([OH:20])[CH2:12][O:13][C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1)C1C=CC=CC=1.[H][H].[C:43]([O-:48])(=[O:47])[C:44]([O-:46])=[O:45]>CO.[Pd]>[C:43]([OH:48])(=[O:47])[C:44]([OH:46])=[O:45].[CH3:40][O:39][C:36]1[CH:37]=[CH:38][C:33]([CH:24]([C:25]2[CH:30]=[CH:29][C:28]([O:31][CH3:32])=[CH:27][CH:26]=2)[CH2:23][C@H:21]([NH:9][CH2:10][C@H:11]([OH:20])[CH2:12][O:13][C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=2)[CH3:22])=[CH:34][CH:35]=1 | 2 |
CI.[C:3]([C:6]1[CH:7]=[C:8]([NH:13][C:14](=[O:16])[CH3:15])[CH:9]=[CH:10][C:11]=1[OH:12])(=[O:5])[CH3:4].[C:17](=O)([O-])[O-].[K+].[K+]>CN(C)C=O>[C:3]([C:6]1[CH:7]=[C:8]([NH:13][C:14](=[O:16])[CH3:15])[CH:9]=[CH:10][C:11]=1[O:12][CH3:17])(=[O:5])[CH3:4] | 1 |
[Br-].C[Mg+].BrC=1C=CC(=C(C1)C(C(CO[Si](C)(C)C(C)(C)C)(F)F)=NS(=O)C(C)(C)C)F>C(C)OCC>BrC=1C=CC(=C(C1)C(C)(C(CO[Si](C)(C)C(C)(C)C)(F)F)NS(=O)C(C)(C)C)F | 3 |
[Si](C1=CC=CC=C1)(C1=CC=CC=C1)(C(C)(C)C)OCCOC[C@@H](C(=O)NC1=NC=C(C=C1)C)OC1=C2C(=NC=N1)N(N=C2)C2=C(C=CC=C2)Cl>C1CCCO1.[F-].C(CCC)[N+](CCCC)(CCCC)CCCC>ClC1=C(C=CC=C1)N1N=CC=2C1=NC=NC2O[C@H](C(=O)NC2=NC=C(C=C2)C)COCCO | 3 |
[CH3:1][O:2][C:3](=[O:12])[CH2:4][CH2:5][S:6][CH2:7][C:8](OC)=[O:9].CCCCCC.[H-].[Na+]>C1COCC1>[CH3:1][O:2][C:3]([CH:4]1[C:8](=[O:9])[CH2:7][S:6][CH2:5]1)=[O:12] | 1 |
C(CC(=O)C)(=O)OCC.BrC1=CC=CC=2C(OC(NC21)=O)=O>O.[OH-].[Na+].CN(C(C)=O)C>BrC=1C=CC=C2C(=C(C(=NC12)C)C(=O)OCC)O | 3 |
FC1=CC=C(C=C1)[N+](=O)[O-].C[C@H](CC)O>N(C)(C)C=O.[H-].[Na+]>[N+](=O)([O-])C1=CC=C(C=C1)O[C@@H](CC)C | 3 |
FC(COS(=O)(=O)C(F)(F)F)(F)F.CC1(CCNCC1)OC(NC(C)(C)C)=O>ClCCl.C(C)(C)N(C(C)C)CC>FC(CN1CCC(CC1)(C)OC(NC(C)(C)C)=O)(F)F | 3 |
[OH-].[Na+:2].[O:3]1[CH:7]=[CH:6][C:5]([C:8]2[CH:16]=[CH:15][C:11]([C:12]([OH:14])=[O:13])=[C:10]([NH:17][C:18](=[O:32])[C:19]3[CH:24]=[C:23]([C:25]4[CH:26]=[N:27][CH:28]=[CH:29][CH:30]=4)[CH:22]=[CH:21][C:20]=3[OH:31])[CH:9]=2)=[CH:4]1>C(O)C>[O:3]1[CH:7]=[CH:6][C:5]([C:8]2[CH:16]=[CH:15][C:11]([C:12]([O-:14])=[O:13])=[C:10]([NH:17][C:18](=[O:32])[C:19]3[CH:24]=[C:23]([C:25]4[CH:26]=[N:27][CH:28]=[CH:29][CH:30]=4)[CH:22]=[CH:21][C:20]=3[OH:31])[CH:9]=2)=[CH:4]1.[Na+:2] | 1 |
OC1=C(C=CC(=C1)C1=NNC(C(C1C)CCC)=O)NC(=O)C=1N(C=CC1)C>O1CCOCC1.O.C1(=CC=C(C=C1)S(=O)(=O)O)C.C(C)(=O)O>C[C@H]1[C@@H](C(NN=C1C1=CC2=C(N=C(O2)C=2N(C=CC2)C)C=C1)=O)CCC | 3 |
C1(=CC=CC=C1)C1=CC(=NO1)C(=O)O.COC1=C(CN2N=CC(=C2)N)C=CC=C1>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>COC1=C(CN2N=CC(=C2)NC(=O)C2=NOC(=C2)C2=CC=CC=C2)C=CC=C1 | 3 |
[N:1]1([CH2:6][CH2:7][N:8]2[C:16]3[C:11](=[CH:12][C:13]([NH2:17])=[CH:14][CH:15]=3)[CH:10]=[N:9]2)[CH2:5][CH2:4][CH2:3][CH2:2]1.[Cl:18][C:19]1[CH:24]=[CH:23][C:22]([CH:25]2[CH2:30][CH2:29][CH:28]([C:31](O)=[O:32])[CH2:27][CH2:26]2)=[CH:21][CH:20]=1>>[Cl:18][C:19]1[CH:20]=[CH:21][C:22]([CH:25]2[CH2:26][CH2:27][CH:28]([C:31]([NH:17][C:13]3[CH:12]=[C:11]4[C:16](=[CH:15][CH:14]=3)[N:8]([CH2:7][CH2:6][N:1]3[CH2:5][CH2:4][CH2:3][CH2:2]3)[N:9]=[CH:10]4)=[O:32])[CH2:29][CH2:30]2)=[CH:23][CH:24]=1 | 1 |
[Cl:1][C:2]1[C:3]([O:29][C:30]2[CH:35]=[CH:34][C:33]([C:36]3[CH:41]=[CH:40][C:39]([C:42]([F:45])([F:44])[F:43])=[CH:38][CH:37]=3)=[CH:32][C:31]=2[C:46](=O)/[CH:47]=[CH:48]/N(C)C)=[CH:4][C:5]([F:28])=[C:6]([S:8]([N:11]([CH2:17][C:18]2[CH:23]=[CH:22][C:21]([O:24][CH3:25])=[CH:20][C:19]=2[O:26][CH3:27])[C:12]2[S:13][CH:14]=[N:15][N:16]=2)(=[O:10])=[O:9])[CH:7]=1.[NH:53]([CH:55]1[CH2:58][N:57]([C:59]([O:61][C:62]([CH3:65])([CH3:64])[CH3:63])=[O:60])[CH2:56]1)[NH2:54].C(=O)([O-])O.[Na+]>C(O)C.C(O)(=O)C>[Cl:1][C:2]1[CH:7]=[C:6]([S:8]([N:11]([CH2:17][C:18]2[CH:23]=[CH:22][C:21]([O:24][CH3:25])=[CH:20][C:19]=2[O:26][CH3:27])[C:12]2[S:13][CH:14]=[N:15][N:16]=2)(=[O:10])=[O:9])[C:5]([F:28])=[CH:4][C:3]=1[O:29][C:30]1[CH:35]=[CH:34][C:33]([C:36]2[CH:41]=[CH:40][C:39]([C:42]([F:45])([F:43])[F:44])=[CH:38][CH:37]=2)=[CH:32][C:31]=1[C:46]1[N:53]([CH:55]2[CH2:56][N:57]([C:59]([O:61][C:62]([CH3:65])([CH3:64])[CH3:63])=[O:60])[CH2:58]2)[N:54]=[CH:48][CH:47]=1 | 1 |
N[C:2]1([C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=2)[C:10]2[C:5](=[N:6][C:7](N)=[C:8]([C:11]#[N:12])[CH:9]=2)[O:4][NH:3]1.[N:20]([O-])=O.[Na+].[OH2:24]>Cl>[NH2:20][C:9]1[C:8]([C:11]#[N:12])=[C:7]([OH:24])[N:6]=[C:5]2[O:4][N:3]=[C:2]([C:14]3[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=3)[C:10]=12 | 1 |
[CH3:1][CH:2]([CH3:6])[C@@H:3]([NH2:5])[CH3:4].[CH2:7]=[C:8]1[O:12][C:10](=[O:11])[CH2:9]1>CO>[CH3:1][CH:2]([CH3:6])[C@@H:3]([NH:5][C:10](=[O:11])[CH2:9][C:8](=[O:12])[CH3:7])[CH3:4] | 2 |
C(CCCCCC)N(C(CC1=CC=C(OCC2=C(C(=O)OC)C=CC=C2)C=C1)=O)CCC1=C(C=CC=C1)OC>CCO[H].[OH-].[K+]>C(CCCCCC)N(C(CC1=CC=C(OCC2=C(C(=O)O)C=CC=C2)C=C1)=O)CCC1=C(C=CC=C1)OC | 3 |
C(O)C.O1CCCC1.[Cl:9][C:10]1[CH:11]=[CH:12][C:13]([N+:27]([O-])=O)=[C:14]([NH:16][C:17]2[CH:22]=[CH:21][C:20]([NH:23][C:24](=[O:26])[CH3:25])=[CH:19][CH:18]=2)[CH:15]=1.[Cl-].[NH4+]>[Fe].O>[NH2:27][C:13]1[CH:12]=[CH:11][C:10]([Cl:9])=[CH:15][C:14]=1[NH:16][C:17]1[CH:18]=[CH:19][C:20]([NH:23][C:24](=[O:26])[CH3:25])=[CH:21][CH:22]=1 | 2 |
[Br:1][C:2]1[CH:9]=[CH:8][C:5]([CH2:6][NH2:7])=[CH:4][CH:3]=1.CCN(C(C)C)C(C)C.[CH3:19][O:20][C:21]1[CH:26]=[CH:25][CH:24]=[CH:23][C:22]=1[S:27](Cl)(=[O:29])=[O:28]>CN(C1C=CN=CC=1)C.ClCCl>[Br:1][C:2]1[CH:9]=[CH:8][C:5]([CH2:6][NH:7][S:27]([C:22]2[CH:23]=[CH:24][CH:25]=[CH:26][C:21]=2[O:20][CH3:19])(=[O:29])=[O:28])=[CH:4][CH:3]=1 | 2 |
C(=O)(OC(C)(C)C)N(C)CC(=O)O.CC=1C=C(C=NC1N1CCNCC1)CC1=CN=C2C(=NC(=NN21)OC(C)CCC)N>N(C)(C)C=O.O.C(C)(C)N(C(C)C)CC.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>NC1=NC(=NN2C1=NC=C2CC=2C=C(C(=NC2)N2CCN(CC2)C(CN(C(OC(C)(C)C)=O)C)=O)C)OC(C)CCC | 3 |
C(OC([N:8]1[CH2:13][CH2:12][CH:11]([S:14]([C:17]2[CH:22]=[CH:21][C:20]([NH:23][C:24]3[N:29]=[CH:28][C:27]([NH:30][C:31](=[O:50])[C:32]4[CH:37]=[C:36]([NH:38][C:39](=[O:48])[C:40]5[CH:45]=[CH:44][C:43]([C:46]#[N:47])=[CH:42][CH:41]=5)[CH:35]=[CH:34][C:33]=4[Cl:49])=[CH:26][N:25]=3)=[CH:19][CH:18]=2)(=[O:16])=[O:15])[CH2:10][CH2:9]1)=O)(C)(C)C.[C:51]([OH:57])([C:53]([F:56])([F:55])[F:54])=[O:52]>C(Cl)Cl>[Cl:49][C:33]1[CH:34]=[CH:35][C:36]([NH:38][C:39](=[O:48])[C:40]2[CH:41]=[CH:42][C:43]([C:46]#[N:47])=[CH:44][CH:45]=2)=[CH:37][C:32]=1[C:31]([NH:30][C:27]1[CH:26]=[N:25][C:24]([NH:23][C:20]2[CH:19]=[CH:18][C:17]([S:14]([CH:11]3[CH2:10][CH2:9][NH:8][CH2:13][CH2:12]3)(=[O:15])=[O:16])=[CH:22][CH:21]=2)=[N:29][CH:28]=1)=[O:50].[C:51]([OH:57])([C:53]([F:56])([F:55])[F:54])=[O:52] | 1 |
FC1(CCC=2N(N=C(C21)C(F)(F)F)CC(=O)N[C@@H](CC2=CC(=CC(=C2)F)F)C2=NC=CC=C2C=2C=CC(=C(C(=O)N)C2)F)F>>FC1(CC(C=2N(N=C(C21)C(F)(F)F)CC(=O)N[C@@H](CC2=CC(=CC(=C2)F)F)C2=NC=CC=C2C=2C=CC(=C(C(=O)N)C2)F)=O)F | 5 |
C(C1=CC=CC=C1)(C1=CC=CC=C1)N1CC(C1)OS(=O)(=O)C.N1=C(N=CC=C1)N1CCNCC1>CC#N.C(C)(C)N(C(C)C)CC>C(C1=CC=CC=C1)(C1=CC=CC=C1)N1CC(C1)C1N(CCNC1)C1=NC=NC=C1 | 3 |
[O:1]=[C:2]1[CH:9]2[CH2:10][C:5]3([C:12](O)=[O:13])[CH2:6][CH:7]([CH2:11][CH:3]1[CH2:4]3)[CH2:8]2.[CH3:15][O:16][C:17]1[CH:18]=[C:19]([CH2:25][NH2:26])[CH:20]=[C:21]([O:23][CH3:24])[CH:22]=1.CCN=C=NCCCN(C)C.C1C=CC2N(O)N=NC=2C=1.CCN(C(C)C)C(C)C>C(Cl)Cl>[CH3:24][O:23][C:21]1[CH:20]=[C:19]([CH:18]=[C:17]([O:16][CH3:15])[CH:22]=1)[CH2:25][NH:26][C:12]([C:5]12[CH2:4][CH:3]3[CH2:11][CH:7]([CH2:8][CH:9]([C:2]3=[O:1])[CH2:10]1)[CH2:6]2)=[O:13] | 1 |
N(OCCC(C)C)=O.[C:9]1([C:15]2([C:35]3[CH:40]=[CH:39][CH:38]=[CH:37][CH:36]=3)[CH2:23][C:22]3[N:21]([S:24]([C:27]4[CH:32]=[CH:31][C:30]([CH3:33])=[CH:29][CH:28]=4)(=[O:26])=[O:25])[N:20]=[C:19](N)[C:18]=3[CH:17]=[CH:16]2)[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=1.[I:41]CI>>[I:41][C:19]1[C:18]2[CH:17]=[CH:16][C:15]([C:9]3[CH:10]=[CH:11][CH:12]=[CH:13][CH:14]=3)([C:35]3[CH:40]=[CH:39][CH:38]=[CH:37][CH:36]=3)[CH2:23][C:22]=2[N:21]([S:24]([C:27]2[CH:28]=[CH:29][C:30]([CH3:33])=[CH:31][CH:32]=2)(=[O:26])=[O:25])[N:20]=1 | 1 |
ClCC([NH:5][C:6]1[C:19]2[C:18](=[O:20])[C:17]3[C:12](=[CH:13][CH:14]=[CH:15][C:16]=3[NH:21]C(=O)CCl)[C:11](=[O:26])[C:10]=2[CH:9]=[CH:8][CH:7]=1)=O.[N+](C1C2C(=O)C3C(=CC=CC=3[N+]([O-])=O)C(=O)C=2C=CC=1)([O-])=O.O.O.O.O.O.O.O.O.O.[S-2].[Na+].[Na+].[OH-].[Na+]>C(O)C>[NH2:5][C:6]1[C:19]2[C:18](=[O:20])[C:17]3[C:12](=[CH:13][CH:14]=[CH:15][C:16]=3[NH2:21])[C:11](=[O:26])[C:10]=2[CH:9]=[CH:8][CH:7]=1 | 1 |
[Cl:1][C:2]1[CH:3]=[C:4]([CH:24]=[CH:25][C:26]=1[Cl:27])[CH2:5][CH:6]1[C:15]2[C:10](=[CH:11][CH:12]=[C:13]([O:16]C)[CH:14]=2)[CH2:9][CH2:8][CH:7]1[NH:18][C:19](=[O:23])[O:20][CH2:21][CH3:22].B(Br)(Br)Br>C(Cl)Cl>[Cl:1][C:2]1[CH:3]=[C:4]([CH:24]=[CH:25][C:26]=1[Cl:27])[CH2:5][CH:6]1[C:15]2[C:10](=[CH:11][CH:12]=[C:13]([OH:16])[CH:14]=2)[CH2:9][CH2:8][CH:7]1[NH:18][C:19](=[O:23])[O:20][CH2:21][CH3:22] | 1 |
[CH:1]1([C:4]([C:6]2[CH:7]=[N:8][C:9]3[C:14]([C:15]=2[NH:16][C@H:17]2[CH2:22][CH2:21][C@H:20]([N:23](C)[C:24](=O)OC(C)(C)C)[CH2:19][CH2:18]2)=[CH:13][C:12]([C:32]2[CH:37]=[C:36]([Cl:38])[C:35]([OH:39])=[C:34]([Cl:40])[CH:33]=2)=[CH:11][CH:10]=3)=[O:5])[CH2:3][CH2:2]1.C(O)(C(F)(F)F)=O>>[CH:1]1([C:4]([C:6]2[CH:7]=[N:8][C:9]3[C:14]([C:15]=2[NH:16][C@H:17]2[CH2:18][CH2:19][C@H:20]([NH:23][CH3:24])[CH2:21][CH2:22]2)=[CH:13][C:12]([C:32]2[CH:37]=[C:36]([Cl:38])[C:35]([OH:39])=[C:34]([Cl:40])[CH:33]=2)=[CH:11][CH:10]=3)=[O:5])[CH2:3][CH2:2]1 | 1 |
C[N:2](C)[CH:3]=[C:4]([C:9]1[CH:18]=[CH:17][C:12]([C:13]([O:15][CH3:16])=[O:14])=[CH:11][CH:10]=1)[C:5](OC)=[O:6].Cl.NN.C([N:25](CC)CC)C>C(O)C>[O:6]=[C:5]1[NH:25][NH:2][CH:3]=[C:4]1[C:9]1[CH:18]=[CH:17][C:12]([C:13]([O:15][CH3:16])=[O:14])=[CH:11][CH:10]=1 | 2 |
CC12CC(C1)(C2)C2=NOC(=C2)N.NC1=C(C(=NN1C(C)C)C1=CC=C(C=C1)CC(=O)O)C(N)=O>ClCCl.C(C)(=O)OCC.C(C)(C)N(C(C)C)CC.CCCP1(=O)OP(=O)(OP(=O)(O1)CCC)CCC>NC1=C(C(=NN1C(C)C)C1=CC=C(C=C1)CC(NC1=CC(=NO1)C12CC(C1)(C2)C)=O)C(=O)N | 3 |
NC1=C(N(C2=C1CN(CC2)C2CN(CC2)C(=O)OC(C)(C)C)C2=CC=C(C=C2)OC2=CC=CC=C2)C(N)=O>Cl.C(C)(C)O>Cl.Cl.NC1=C(N(C2=C1CN(CC2)C2CNCC2)C2=CC=C(C=C2)OC2=CC=CC=C2)C(=O)N | 3 |
FC(C1=NN=C2N1N=C(CC2)N2CCC(CC2)C2=CC=C(OCCN1CCN(CC1)C(=O)OC(C)(C)C)C=C2)(F)F>ClCCl.C(=O)(C(F)(F)F)O>N1(CCNCC1)CCOC1=CC=C(C=C1)C1CCN(CC1)C=1CCC=2N(N1)C(=NN2)C(F)(F)F | 3 |
[CH3:1][C:2]([C:4]1[CH:9]=[CH:8][C:7]([C:10]([CH3:13])([CH3:12])[CH3:11])=[CH:6][CH:5]=1)=[O:3].Cl.[CH3:15][NH:16][CH3:17].[CH2:18]=O.Cl>C(O)C>[C:10]([C:7]1[CH:8]=[CH:9][C:4]([C:2](=[O:3])[CH2:1][CH2:15][N:16]([CH3:18])[CH3:17])=[CH:5][CH:6]=1)([CH3:13])([CH3:12])[CH3:11] | 2 |
[CH3:1][C:2]([CH3:36])([O:4][C:5]([NH:7][C@H:8]([C:19]([NH:21][C@@H:22]([C:24]([NH:26][CH2:27][CH2:28][CH2:29][C:30]1[CH:35]=[CH:34][CH:33]=[CH:32][CH:31]=1)=[O:25])[CH3:23])=[O:20])[CH2:9][C:10]1[C:15]([CH3:16])=[CH:14][C:13]([OH:17])=[CH:12][C:11]=1[CH3:18])=[O:6])[CH3:3].CN1CCOCC1.[CH2:44]([O:51][C:52](Cl)=[O:53])[C:45]1[CH:50]=[CH:49][CH:48]=[CH:47][CH:46]=1.CCCCCC>C(Cl)Cl>[CH3:36][C:2]([CH3:1])([O:4][C:5]([NH:7][C@H:8]([C:19]([NH:21][C@@H:22]([C:24]([NH:26][CH2:27][CH2:28][CH2:29][C:30]1[CH:31]=[CH:32][CH:33]=[CH:34][CH:35]=1)=[O:25])[CH3:23])=[O:20])[CH2:9][C:10]1[C:15]([CH3:16])=[CH:14][C:13]([O:17][C:52]([O:51][CH2:44][C:45]2[CH:50]=[CH:49][CH:48]=[CH:47][CH:46]=2)=[O:53])=[CH:12][C:11]=1[CH3:18])=[O:6])[CH3:3] | 1 |
C1(CC1)C[C@@H](C(=O)O[C@@H](C(=O)O)C)N(C([C@@H](CC1=CC=C(C=C1)N1CCOCC1)OC([C@H](CC(C)(C)F)N(C([C@@H](C)OC([C@H](CC1CC1)N(C([C@@H](CC1=CC=C(C=C1)N1CCOCC1)OC([C@H](CC(C)(C)F)NC)=O)=O)C)=O)=O)C)=O)=O)C>ClCCl.C(C)(C)N(C(C)C)CC.O=C1OCCN1P(=O)(N1C(OCC1)=O)Cl>C1(CC1)C[C@H]1C(O[C@@H](C(N([C@H](C(O[C@@H](C(N([C@H](C(O[C@@H](C(N([C@H](C(O[C@@H](C(N1C)=O)CC1=CC=C(C=C1)N1CCOCC1)=O)CC(C)(C)F)C)=O)C)=O)CC1CC1)C)=O)CC1=CC=C(C=C1)N1CCOCC1)=O)CC(C)(F)C)C)=O)C)=O | 3 |
N([O-])=O.[Na+].N[C:6]1[N:11]=[CH:10][C:9]([C:12]2[CH:13]=[N:14][C:15]([NH:27][C:28]([NH:30][CH2:31][CH3:32])=[O:29])=[CH:16][C:17]=2[C:18]2[S:19][CH:20]=[C:21]([C:23]([F:26])([F:25])[F:24])[N:22]=2)=[CH:8][C:7]=1[C:33]1[O:34][C:35]([CH3:38])=[N:36][N:37]=1.S(=O)(=O)(O)[OH:40].[OH2:44]>C(=O)(O)[O-].[Na+]>[C:35]([NH:36][NH:37][C:33]([C:7]1[C:6](=[O:40])[NH:11][CH:10]=[C:9]([C:12]2[C:17]([C:18]3[S:19][CH:20]=[C:21]([C:23]([F:24])([F:25])[F:26])[N:22]=3)=[CH:16][C:15]([NH:27][C:28]([NH:30][CH2:31][CH3:32])=[O:29])=[N:14][CH:13]=2)[CH:8]=1)=[O:34])(=[O:44])[CH3:38] | 2 |
[Br:1][C:2]1[CH:3]=[C:4]([S:10](Cl)(=[O:12])=[O:11])[CH:5]=[CH:6][C:7]=1[O:8][CH3:9].[CH3:14][NH2:15]>C1COCC1>[Br:1][C:2]1[CH:3]=[C:4]([S:10]([NH:15][CH3:14])(=[O:12])=[O:11])[CH:5]=[CH:6][C:7]=1[O:8][CH3:9] | 2 |
ClC(Cl)(OC(OC(Cl)(Cl)Cl)=O)Cl.[N+](=O)([O-])C1=C(CNCC(CC)O)C=CC=C1>C(Cl)(Cl)(Cl)[H].c1ccncc1>C(C)C1CN(C(O1)=O)CC1=C(C=CC=C1)[N+](=O)[O-] | 3 |
ClC=1C=C(C(=NC1)NS(=O)(=O)CC1=CC(=CC(=C1)OC)OC)OCC=C>CO[H].ClCCl.C([O-])([O-])=O.[K+].[K+].Cl[Pd]Cl.C1(=CC=CC=C1)P(=O)(C1=CC(C=C1)[Fe]C1C=C(C=C1)P(=O)(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1>ClC=1C=C(C(=NC1)NS(=O)(=O)CC1=CC(=CC(=C1)OC)OC)O | 3 |
ClC1=CC(=NC(=N1)SC)N1CCOCC1>ClCCl.S(=O)(=O)(O[O-])[O-].[K+].[K+].S(=O)(=O)(O)[O-].C(CCC)[N+](CCCC)(CCCC)CCCC>ClC1=CC(=NC(=N1)S(=O)(=O)C)N1CCOCC1 | 3 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([CH:8]([C:20]2[CH:25]=[CH:24][C:23]([Cl:26])=[CH:22][CH:21]=2)[C:9]2[CH:10]=[C:11]3[C:16](=[CH:17][CH:18]=2)[N:15]=[CH:14][N:13]=[C:12]3Cl)=[CH:4][CH:3]=1.[F:27][C:28]([F:38])([F:37])[C:29]1[CH:30]=[C:31]([CH2:35][NH2:36])[CH:32]=[CH:33][CH:34]=1>C(O)(C)C>[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([CH:8]([C:20]2[CH:25]=[CH:24][C:23]([Cl:26])=[CH:22][CH:21]=2)[C:9]2[CH:10]=[C:11]3[C:16](=[CH:17][CH:18]=2)[N:15]=[CH:14][N:13]=[C:12]3[NH:36][CH2:35][C:31]2[CH:32]=[CH:33][CH:34]=[C:29]([C:28]([F:27])([F:37])[F:38])[CH:30]=2)=[CH:6][CH:7]=1 | 2 |
ClC=1C=C2C(=CN(C2=CC1)CC(C)C)C=1OC=C(N1)C(=O)OCC>CCO[H]>ClC=1C=C2C(=CN(C2=CC1)CC(C)C)C=1OC=C(N1)C(=O)O | 3 |
C(C)OP(=O)C.C(C)OC1=C(C=CC(=C1)[N+](=O)[O-])I>>C(C)OC1=C(C=CC(=C1)[N+](=O)[O-])P(OCC)(=O)C | 5 |
ClC=1C=C(C(=O)O)C=CC1C#N.NCC(CC(=O)NC=1C=C2C(N(C(N(C2=CC1)CC)=O)CC)=O)C(C)C>C(C)(=O)OCC.C(C)(C)N(C(C)C)CC.CCCP1(=O)OP(=O)(OP(=O)(O1)CCC)CCC>ClC=1C=C(C(=O)NCC(CC(=O)NC=2C=C3C(N(C(N(C3=CC2)CC)=O)CC)=O)C(C)C)C=CC1C#N | 3 |
[Cl:1][C:2]1[C:3]2[C:10]([C:11]3[CH:16]=[CH:15][C:14]([F:17])=[CH:13][CH:12]=3)=[CH:9][S:8][C:4]=2[N:5]=[CH:6][N:7]=1.[Cl:18]N1C(=O)CCC1=O>C(O)(=O)C>[Cl:1][C:2]1[C:3]2[C:10]([C:11]3[CH:16]=[CH:15][C:14]([F:17])=[CH:13][CH:12]=3)=[C:9]([Cl:18])[S:8][C:4]=2[N:5]=[CH:6][N:7]=1 | 1 |
[OH:1][CH2:2][C@@H:3]1[CH2:7][CH2:6][N:5]([C:8]([O:10][C:11]([CH3:14])([CH3:13])[CH3:12])=[O:9])[CH2:4]1.[H-].[Na+].[NH2:17][C:18]1[N:19]=[C:20]([C:33]2[CH:38]=[CH:37][C:36]([CH3:39])=[CH:35][CH:34]=2)[C:21]([C:25]2[CH:32]=[CH:31][C:28]([C:29]#[N:30])=[CH:27][CH:26]=2)=[N:22][C:23]=1Br>O1CCCC1>[NH2:17][C:18]1[C:23]([O:1][CH2:2][C@@H:3]2[CH2:7][CH2:6][N:5]([C:8]([O:10][C:11]([CH3:14])([CH3:13])[CH3:12])=[O:9])[CH2:4]2)=[N:22][C:21]([C:25]2[CH:32]=[CH:31][C:28]([C:29]#[N:30])=[CH:27][CH:26]=2)=[C:20]([C:33]2[CH:34]=[CH:35][C:36]([CH3:39])=[CH:37][CH:38]=2)[N:19]=1 | 2 |
[CH2:1]([O:8][C:9](=[O:32])[CH:10]([CH2:19][CH2:20][N:21]1[C:25](=[O:26])[C:24]2=[CH:27][CH:28]=[CH:29][CH:30]=[C:23]2[C:22]1=[O:31])[NH:11]C(OC(C)(C)C)=O)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.C(OC(=O)C(CCN1C(=O)C2=CC=CC=C2C1=O)NC(OC(C)(C)C)=O)C=C.[CH3:61][O:62][C:63]1[CH:68]=[CH:67][C:66]([S:69]([Cl:72])(=[O:71])=[O:70])=[CH:65][CH:64]=1>>[O:62]([C:63]1[CH:64]=[CH:65][C:66]([S:69]([Cl:72])(=[O:71])=[O:70])=[CH:67][CH:68]=1)[C:61]1[CH:6]=[CH:7][CH:2]=[CH:3][CH:4]=1.[CH2:1]([O:8][C:9](=[O:32])[CH:10]([CH2:19][CH2:20][N:21]1[C:22](=[O:31])[C:23]2=[CH:30][CH:29]=[CH:28][CH:27]=[C:24]2[C:25]1=[O:26])[NH:11][S:69]([C:66]1[CH:65]=[CH:64][C:63]([O:62][CH3:61])=[CH:68][CH:67]=1)(=[O:71])=[O:70])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 1 |
[CH3:1][Si](Cl)(C)C.[CH3:6][O:7][C:8]1[CH:9]=[C:10]([CH2:14][C:15]([OH:17])=[O:16])[CH:11]=[CH:12][CH:13]=1>CO>[CH3:6][O:7][C:8]1[CH:9]=[C:10]([CH2:14][C:15]([O:17][CH3:1])=[O:16])[CH:11]=[CH:12][CH:13]=1 | 1 |
[C:1]([C:3]1[CH:8]=[CH:7][C:6]([C:9]2([C:17]([OH:19])=O)[N:13]3[CH:14]=[N:15][CH:16]=[C:12]3[CH2:11][CH2:10]2)=[C:5]([O:20][CH3:21])[CH:4]=1)#[N:2].C[N:23]([CH:25]=O)C.C(Cl)(=O)C(Cl)=O.[F:33][C:34]1[CH:42]=[CH:41][C:37]([CH2:38]NC)=[CH:36][CH:35]=1>C(Cl)Cl>[F:33][C:34]1[CH:42]=[CH:41][C:37]([CH2:38][CH2:25][NH:23][C:17]([C:9]2([C:6]3[CH:7]=[CH:8][C:3]([C:1]#[N:2])=[CH:4][C:5]=3[O:20][CH3:21])[N:13]3[CH:14]=[N:15][CH:16]=[C:12]3[CH2:11][CH2:10]2)=[O:19])=[CH:36][CH:35]=1 | 1 |
CC(C)C1=CC=C(C=C1)SC1=CC=CN2C1=NS(CC2)(=O)=O>N(C)(C)C=O.ClC=1C=C(C(=O)OO)C=CC1>CC(C)C1=CC=C(C=C1)S(=O)(=O)C1=CC=CN2C1=NS(CC2)(=O)=O | 3 |
BrC=1C=C(C=CC1)[N+](=O)[O-].N1CCC(CC1)N(C(OC(C)(C)C)=O)C>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].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.CC(C)(C)[O-].[Na+]>CN(C(OC(C)(C)C)=O)C1CCN(CC1)C1=CC(=CC=C1)[N+](=O)[O-] | 3 |
CC1=CC=2C3=C(N(C2C=C1)CC(O)C1=CC=NC=C1)CCN1CCCC13>ClCCl.ClC=1C=C(C(=O)OO)C=CC1>OC(CN1C2=C(C=3C=C(C=CC13)C)C1CCC[N+]1(CC2)[O-])C2=CC=NC=C2 | 3 |
COC1=C(CN)C=CC(=C1)OC.CC1=NOC(=C1C1=CC(=C2C=3N([C@H](COC31)C3=NC=CC=C3)C(N2)=O)C=O)C>>COC1=C(CNCC=2C=C(C3=C4N([C@H](CO3)C3=NC=CC=C3)C(NC24)=O)C=2C(=NOC2C)C)C=CC(=C1)OC | 5 |
[C:1]([CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][N:9]([CH2:23][CH2:24][N:25]1C(=O)C2=CC=CC=C2C1=O)[CH2:10][CH2:11][N:12]1C(=O)C2=CC=CC=C2C1=O)#[N:2].NN>CO>[C:1]([CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][N:9]([CH2:23][CH2:24][NH2:25])[CH2:10][CH2:11][NH2:12])#[N:2] | 1 |
Cl[C:2]1[N:9]=[CH:8][CH:7]=[CH:6][C:3]=1[C:4]#[N:5].[F:10][C:11]1[C:16]([F:17])=[CH:15][CH:14]=[CH:13][C:12]=1B(O)O>>[F:10][C:11]1[C:16]([F:17])=[CH:15][CH:14]=[CH:13][C:12]=1[C:2]1[N:9]=[CH:8][CH:7]=[CH:6][C:3]=1[C:4]#[N:5] | 1 |
[CH2:1]([O:3][C:4]1[CH:9]=[CH:8][C:7]([S:10]([N:13]2[CH2:18][CH2:17][N:16]([CH3:19])[CH2:15][CH2:14]2)(=[O:12])=[O:11])=[CH:6][C:5]=1[C:20]1[NH:25][C:24](=[O:26])[C:23]2=[C:27]([CH2:33][CH3:34])[N:28]=[C:29]([CH2:30][CH2:31][CH3:32])[N:22]2[N:21]=1)[CH3:2].[ClH:35]>CCOCC.ClCCl>[ClH:35].[CH2:1]([O:3][C:4]1[CH:9]=[CH:8][C:7]([S:10]([N:13]2[CH2:14][CH2:15][N:16]([CH3:19])[CH2:17][CH2:18]2)(=[O:12])=[O:11])=[CH:6][C:5]=1[C:20]1[NH:25][C:24](=[O:26])[C:23]2=[C:27]([CH2:33][CH3:34])[N:28]=[C:29]([CH2:30][CH2:31][CH3:32])[N:22]2[N:21]=1)[CH3:2] | 1 |
[N+](=O)([O-])C=1C=C(N)C=CC1>>FC(S(=O)(=O)NC1=CC(=CC=C1)[N+](=O)[O-])(F)F | 5 |
CN([C:4]([O:8][N:9]1N=NC2C=CC=N[C:10]1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.[CH3:25][N:26]1[CH:30]=[CH:29][N:28]=[C:27]1[C:31]([OH:33])=O.Cl.CNOC.C(N(C(C)C)CC)(C)C>CN(C=O)C>[CH3:10][N:9]([O:8][CH3:4])[C:31]([C:27]1[N:26]([CH3:25])[CH:30]=[CH:29][N:28]=1)=[O:33] | 1 |
[CH3:1][N:2]1[CH2:7][CH:6]=[C:5]([C:8]2[C:16]3[C:11](=[CH:12][CH:13]=[C:14]([O:17][C:18]([F:21])([F:20])[F:19])[CH:15]=3)[NH:10][CH:9]=2)[CH2:4][CH2:3]1.[C:22](Cl)(=[O:29])[C:23]1[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=1>>[C:22]([N:10]1[C:11]2[C:16](=[CH:15][C:14]([O:17][C:18]([F:21])([F:19])[F:20])=[CH:13][CH:12]=2)[C:8]([C:5]2[CH2:4][CH2:3][N:2]([CH3:1])[CH2:7][CH:6]=2)=[CH:9]1)(=[O:29])[C:23]1[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=1 | 1 |
C(C)OC(C(=CC1=CC=C(C=C1)OC)C1=NC=CC=C1)=O>O.C1CCCO1.[OH-].[Na+]>COC1=CC=C(C=C1)C=C(C(=O)O)C1=NC=CC=C1 | 3 |
N1C=CC=2C(=CC=CC12)C(=O)OC.CN(C1=CC=CC=C1)C=O>ClCCCl.P(=O)(Cl)(Cl)Cl.C(C)(=O)[O-].[Na+]>C(=O)C1=CNC=2C=CC=C(C12)C(=O)OC | 3 |
[F:1][C:2]1[CH:3]=[C:4]([C:19]2[CH:24]=[CH:23][C:22]([C:25]([NH:27][C@H:28]([C:32]([O:34]C)=[O:33])[CH:29]([CH3:31])[CH3:30])=[O:26])=[CH:21][CH:20]=2)[CH:5]=[CH:6][C:7]=1[NH:8][C:9]1[S:10][C:11]2[CH:17]=[C:16]([F:18])[CH:15]=[CH:14][C:12]=2[N:13]=1.CO.[Li+].[OH-].Cl>C1COCC1.O>[F:1][C:2]1[CH:3]=[C:4]([C:19]2[CH:24]=[CH:23][C:22]([C:25]([NH:27][C@H:28]([C:32]([OH:34])=[O:33])[CH:29]([CH3:31])[CH3:30])=[O:26])=[CH:21][CH:20]=2)[CH:5]=[CH:6][C:7]=1[NH:8][C:9]1[S:10][C:11]2[CH:17]=[C:16]([F:18])[CH:15]=[CH:14][C:12]=2[N:13]=1 | 1 |
ClC1=NC=NC2=CC(=C(C=C12)OC)OCCCN1CCCCC1.FC=1C=NC2=CC(=CC=C2C1)O>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>FC=1C=NC2=CC(=CC=C2C1)OC1=NC=NC2=CC(=C(C=C12)OC)OCCCN1CCCCC1 | 3 |
C(C)OC(C(CCC(C(=O)OCC)CC1=C(C=CC=C1)C1=CC=CC=C1)CC1=C(C=CC=C1)C1=CC=CC=C1)=O>O.CO[H].[OH-].[K+]>C1(=CC=CC=C1)C1=C(CC(C(=O)O)CCC(C(=O)O)CC2=C(C=CC=C2)C2=CC=CC=C2)C=CC=C1 | 3 |
BrC1=NC(=CN=C1)C1CC1.CC1(OB(OC1(C)C)C1=CN(C2=CC=C(C=C12)C(=O)OC)S(=O)(=O)C1=CC=C(C)C=C1)C>O.ClCCl.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.P(=O)([O-])([O-])[O-].[K+].[K+].[K+].P(c2ccccc2c1c(cc(cc1C(C)C)C(C)C)C(C)C)(C3CCCCC3)C4CCCCC4>C1(CC1)C1=CN=CC(=N1)C1=CN(C2=CC=C(C=C12)C(=O)OC)S(=O)(=O)C1=CC=C(C)C=C1 | 3 |
C(C1=CC=CC=C1)[C@@H]([C@@H](CN1C[C@H]2CCCC[C@H]2C[C@H]1C(NOC(C)(C)C)=O)O)NC(OC)=O>O.CCO[H].[OH-].[Na+]>N[C@H]([C@@H](CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C)O)CC1=CC=CC=C1 | 3 |
[CH3:1][C:2]([O:5][C:6]([N:8]1[CH2:14][CH2:13][C:12]2=[CH:15][N:16]([C:18]3[CH:26]=[CH:25][C:21]([C:22](O)=[O:23])=[CH:20][CH:19]=3)[N:17]=[C:11]2[CH2:10][CH2:9]1)=[O:7])([CH3:4])[CH3:3].O=C(N1C=CN=C1)[N:29]1C=CN=C1.N>ClCCl.O>[NH2:29][C:22]([C:21]1[CH:20]=[CH:19][C:18]([N:16]2[CH:15]=[C:12]3[C:11]([CH2:10][CH2:9][N:8]([C:6]([O:5][C:2]([CH3:3])([CH3:1])[CH3:4])=[O:7])[CH2:14][CH2:13]3)=[N:17]2)=[CH:26][CH:25]=1)=[O:23] | 1 |
C(CC)N(C1C(NC2=C(C=CC=C2C1)C(=O)OC)=O)CCC>CO[H].[OH-].[Na+]>C(CC)N(C1C(NC2=C(C=CC=C2C1)C(=O)O)=O)CCC | 3 |
FC(F)(F)C(O)=O.[CH2:8]([C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][C:11]=1[O:16][C:17]1[N:22]=[CH:21][C:20]([NH:23][C:24](=[O:35])[C@H:25]([NH:27]C(=O)OC(C)(C)C)[CH3:26])=[CH:19][CH:18]=1)[CH3:9]>ClCCl>[CH2:8]([C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][C:11]=1[O:16][C:17]1[N:22]=[CH:21][C:20]([NH:23][C:24](=[O:35])[C@@H:25]([CH3:26])[NH2:27])=[CH:19][CH:18]=1)[CH3:9] | 1 |
CC(C)(C)C[OH:4].[CH:7]([C:9]1[CH:55]=[CH:54][C:12]([O:13][C:14]2[CH:53]=[CH:52][C:17]([C:18]([N:20]3[CH2:24][C@H:23]([C:25]4[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=4)[C@@H:22]([CH2:31][N:32]([C@@H:40]([C:42]4[C:51]5[C:46](=[CH:47][CH:48]=[CH:49][CH:50]=5)[CH:45]=[CH:44][CH:43]=4)[CH3:41])[C:33](=[O:39])[O:34][C:35]([CH3:38])([CH3:37])[CH3:36])[CH2:21]3)=[O:19])=[CH:16][CH:15]=2)=[CH:11][CH:10]=1)=[O:8].P([O-])(O)(O)=O.[K+].CC(=CC)C.Cl([O-])=O.[Na+]>>[C:35]([O:34][C:33]([N:32]([CH2:31][C@@H:22]1[C@@H:23]([C:25]2[CH:26]=[CH:27][CH:28]=[CH:29][CH:30]=2)[CH2:24][N:20]([C:18]([C:17]2[CH:16]=[CH:15][C:14]([O:13][C:12]3[CH:54]=[CH:55][C:9]([C:7]([OH:4])=[O:8])=[CH:10][CH:11]=3)=[CH:53][CH:52]=2)=[O:19])[CH2:21]1)[C@@H:40]([C:42]1[C:51]2[C:46](=[CH:47][CH:48]=[CH:49][CH:50]=2)[CH:45]=[CH:44][CH:43]=1)[CH3:41])=[O:39])([CH3:38])([CH3:37])[CH3:36] | 1 |
ClCC1=CC(=C(C=C1)OC)OC1CCCC1>O.ClCCl.[C-]#N.[K+].[Cl-].C(C1=CC=CC=C1)[N+](CC)(CC)CC>C1(CCCC1)OC=1C=C(C=CC1OC)CC#N | 3 |
[C:1]1([C:7]2[N:11]([C:12]3[CH:17]=[CH:16][C:15]([S:18](=[O:21])(=[O:20])[NH2:19])=[CH:14][CH:13]=3)[N:10]=[C:9](C(O)=O)[CH:8]=2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.CC[N:27](CC)CC.[CH3:32][CH2:33][O:34][C:35](C)=[O:36].O>CCO.O1CCOCC1>[CH2:33]([O:34][C:35](=[O:36])[NH:27][C:9]1[CH:8]=[C:7]([C:1]2[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=2)[N:11]([C:12]2[CH:13]=[CH:14][C:15]([S:18](=[O:20])(=[O:21])[NH2:19])=[CH:16][CH:17]=2)[N:10]=1)[CH3:32] | 1 |
C(C1=CC=CC=C1)ON1C(C=C(C2=C1N=CN=C2C)NC(C)C2=NC=CC=C2)=O>CO[H].O.O.[Pd].[HH]>ON1C(C=C(C2=C1N=CN=C2C)NC(C)C2=NC=CC=C2)=O | 3 |
CC(=O)C1=CC=C(C=C1)OC.C(\C=C\C1=CC=CC=C1)=O>>COC1=CC=C(C=C1)C(C=CC=CC1=CC=CC=C1)=O | 5 |
C1(CC1)CNC(NC1=CC=C(C(=O)N2CCN(CC2)CC2=CC=C(S2)C(=O)OC)C=C1)=O>CO[H].[OH-].[Na+]>C1(CC1)CNC(NC1=CC=C(C(=O)N2CCN(CC2)CC2=CC=C(S2)C(=O)O)C=C1)=O | 3 |
CI.S1C=C(C=C1)C(=O)O.C(C)(C)[N-]C(C)C.[Li+].C1CCCCC1>C1CCCO1>CC=1SC=CC1C(=O)O | 3 |
[NH2:1][C:2]1[CH:10]=[C:9]([C:11]([OH:13])=[O:12])[CH:8]=[CH:7][C:3]=1[C:4]([OH:6])=[O:5].[N:14]([O-])=O.[Na+].[F:18][C:19]1[CH:24]=[CH:23][CH:22]=[C:21]([F:25])[C:20]=1[OH:26]>O.Cl.[OH-].[K+]>[F:18][C:19]1[CH:24]=[C:23]([N:14]=[N:1][C:2]2[CH:10]=[C:9]([C:11]([OH:13])=[O:12])[CH:8]=[CH:7][C:3]=2[C:4]([OH:6])=[O:5])[CH:22]=[C:21]([F:25])[C:20]=1[OH:26] | 1 |
O1C=NC(=C1)C(C)(C#C)O.IC1=CC=C2C(=NN(C2=C1)C1=NC(=NC=C1)N)C>[Cu]I.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.N1CCCCC1>NC1=NC=CC(=N1)N1N=C(C2=CC=C(C=C12)C#CC(C)(O)C=1N=COC1)C | 3 |
Cl.NC1=C(C=CC(=C1)C(F)(F)F)S.C(C)(C)C1=CC=C(C=C1)C1=NC(=NC2=CC=C(C=C12)OCC#C)C(=O)O>>C(C)(C)C1=CC=C(C=C1)C1=NC(=NC2=CC=C(C=C12)OCC#C)C=1SC2=C(N1)C=C(C=C2)C(F)(F)F | 5 |
FC(C(=O)O)(F)F.OC1(C=2C=CC(=CC2CCC1)C(=O)O)C=1SC(=CN1)C1=NC(=CC(=C1)C)NC1=NC=CC(=C1)C(F)(F)F>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.[Cl-].[NH4+].F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>FC(C(=O)O)(F)F.OC1(C=2C=CC(=CC2CCC1)C(=O)N)C=1SC(=CN1)C1=NC(=CC(=C1)C)NC1=NC=CC(=C1)C(F)(F)F | 3 |
BrP(C1=CC=CC=C1)(C1=CC=CC=C1)(C1=CC=CC=C1)Br.C1(CCCC1)CCCCO>>BrCCCCC1CCCC1 | 5 |
C1(=CC=CC=C1)C=O.NC1=CC=CC=C1.C(=O)(OC(C)(C)C)N1CC(C=C1)C>>C[C@@]12[C@@H](NC=3C=CC=CC3[C@@H]1N(CC2)C(=O)OC(C)(C)C)C2=CC=CC=C2 | 5 |
C(C1=CC=CC=C1)OC(N[C@H](CO)C)=O>C1CCCO1.c3c(P(c1ccccc1)c2ccccc2)cccc3.C(Br)(Br)(Br)Br>C(C1=CC=CC=C1)OC(N[C@H](CBr)C)=O | 3 |
ClC1=NC=C(C=C1)C#N.C(C1=CC=CC=C1)N1C[C@@H]([C@H](C1)C1=CC(=C(C=C1)Cl)F)[C@H](C)O>N(C)(C)C=O.[H-].[Na+]>C(C1=CC=CC=C1)N1C[C@@H]([C@H](C1)C1=CC(=C(C=C1)Cl)F)[C@H](C)OC1=NC=C(C#N)C=C1 | 3 |
N1=C(C=CC=C1)COC1=CC=C(C(=O)OCC)C=C1>CCO[H].[OH-].[Na+]>N1=C(C=CC=C1)COC1=CC=C(C(=O)O)C=C1 | 3 |
S([CH:5]1[C@H:9](O)[C@@H:8]([CH2:11][OH:12])[O:7][C@@:6]1(S(C)(=O)=O)[N:13]1[CH:21]=[C:19]([CH3:20])[C:17](=[O:18])[NH:16][C:14]1=[O:15])(C)(=O)=O.[OH-].[Na+].[C@@H](N)(C(O)=O)[C@@H](F)C(N)=O.CC(C)([O-])C.[K+]>CS(C)=O.O>[CH3:20][C:19]1[C:17](=[O:18])[NH:16][C:14](=[O:15])[N:13]([C@@H:6]2[O:7][C@H:8]([CH2:11][OH:12])[CH:9]=[CH:5]2)[CH:21]=1 | 1 |
ClC(Cl)(OC(OC(Cl)(Cl)Cl)=O)Cl.COC1=CC=C(C=C1)C=1N=C(SC1C1=CC=C(C=C1)OC)C1(CCNCC1)C>>COC1=CC=C(C=C1)C=1N=C(SC1C1=CC=C(C=C1)OC)C1(CCN(CC1)C(N(C)O)=O)C | 5 |
C(C)(C)(C)OC(NCCCN1C(C=2C(C=3C=C(C=CC13)N)=NN(C2C)C2OCCCC2)=O)=O>CO[H].Cl>NC1=CC=2C=3C(C(N(C2C=C1)CCCN)=O)=C(NN3)C | 3 |
[CH3:1][C:2]1[CH:6]=[C:5]([CH3:7])[N:4]([C:8](=[NH:20])[NH:9][S:10]([C:13]2[CH:18]=[CH:17][C:16]([CH3:19])=[CH:15][CH:14]=2)(=[O:12])=[O:11])N=1.CS(O)(=O)=O.[NH2:26]C1C=NC=CC=1>>[NH2:20][C:8]([NH:4][C:5]1[CH:7]=[N:26][CH:1]=[CH:2][CH:6]=1)=[N:9][S:10]([C:13]1[CH:18]=[CH:17][C:16]([CH3:19])=[CH:15][CH:14]=1)(=[O:12])=[O:11] | 1 |
BrC=1C=NC=C(C1)F>N(C)(C)C=O.c3c(P(c1ccccc1)c2ccccc2)cccc3.[Pd+2].[O-]C(=O)C.[O-]C(=O)C.C([O-])([O-])=O.[K+].[K+]>FC=1C=C(C=NC1)/C=C/C(=O)OC(C)(C)C | 3 |
[CH:1]([O:4][C:5]1[CH:10]=[CH:9][CH:8]=[CH:7][C:6]=1[OH:11])([CH3:3])[CH3:2].N1C=CC=CC=1.[C:18](Cl)(=[O:20])[CH3:19]>C(Cl)Cl.C(OCC)C>[C:18]([O:11][C:6]1[CH:7]=[CH:8][CH:9]=[CH:10][C:5]=1[O:4][CH:1]([CH3:3])[CH3:2])(=[O:20])[CH3:19] | 1 |
[CH3:1][O:2][C:3]1[C:8]2[CH2:9][CH2:10][CH2:11][C:7]=2[N:6]=[C:5]([NH:12][C:13](=[N:17][S:18]([C:21]2[CH:30]=[CH:29][CH:28]=[CH:27][C:22]=2[C:23]([O:25][CH3:26])=[O:24])(=[O:20])=[O:19])SCC)[N:4]=1.CC(C)=[O:33]>>[CH3:1][O:2][C:3]1[C:8]2[CH2:9][CH2:10][CH2:11][C:7]=2[N:6]=[C:5]([NH:12][C:13]([NH:17][S:18]([C:21]2[CH:30]=[CH:29][CH:28]=[CH:27][C:22]=2[C:23]([O:25][CH3:26])=[O:24])(=[O:20])=[O:19])=[O:33])[N:4]=1 | 1 |
[CH2:1]([N:3]([CH2:16][CH3:17])[C:4](=[O:15])[C:5]1[CH:10]=[CH:9][C:8](F)=[C:7]([N+:12]([O-:14])=[O:13])[CH:6]=1)[CH3:2].[CH:18]1([CH2:21][NH2:22])[CH2:20][CH2:19]1>C(O)C>[CH:18]1([CH2:21][NH:22][C:8]2[CH:9]=[CH:10][C:5]([C:4]([N:3]([CH2:16][CH3:17])[CH2:1][CH3:2])=[O:15])=[CH:6][C:7]=2[N+:12]([O-:14])=[O:13])[CH2:20][CH2:19]1 | 1 |
FC1=CC=C(C=C1)O>BrBr.ClCCl>BrC1=C(C=CC(=C1)F)O | 3 |
C(=O)(OC(C)(C)C)N1CCNCC1.ClC1=NC=C(C(=N1)N[C@H](C)C1=C(C=C(C=C1)Cl)Cl)OCC(F)(F)F>CS(=O)C>C(C)(C)(C)OC(=O)N1CCN(CC1)C1=NC=C(C(=N1)N[C@H](C)C1=C(C=C(C=C1)Cl)Cl)OCC(F)(F)F | 3 |
[CH3:1][C:2]([O:33][C:34]1[CH:39]=[CH:38][CH:37]=[CH:36][CH:35]=1)([CH2:6][C:7]1[CH:12]=[CH:11][C:10]([O:13][CH2:14][C:15](=[O:32])[NH:16][CH2:17][CH2:18][C:19]2[CH:24]=[CH:23][C:22]([O:25][C:26]3[CH:31]=[CH:30][CH:29]=[CH:28][CH:27]=3)=[CH:21][CH:20]=2)=[CH:9][CH:8]=1)[C:3]([OH:5])=[O:4].[CH2:40](OC(=O)C(CC1C=CC(O)=CC=1)(OC1C=CC=CC=1)CC)C>>[O:33]([C:2]([CH2:6][C:7]1[CH:8]=[CH:9][C:10]([O:13][CH2:14][C:15](=[O:32])[NH:16][CH2:17][CH2:18][C:19]2[CH:24]=[CH:23][C:22]([O:25][C:26]3[CH:27]=[CH:28][CH:29]=[CH:30][CH:31]=3)=[CH:21][CH:20]=2)=[CH:11][CH:12]=1)([CH2:1][CH3:40])[C:3]([OH:5])=[O:4])[C:34]1[CH:35]=[CH:36][CH:37]=[CH:38][CH:39]=1 | 1 |
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