smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
FC1=CC=C(C(=O)Cl)C=C1.N1C=CC2=C(C=CC=C12)C1=CC=C(C=2NC3=CC(=CC=C3C12)C(=O)N1CCN(CC1)C)C(=O)N>C1(=CC=NC=C1)N(C)C.ClCCl.CCN(CC)CC>FC1=CC=C(C(=O)N2C=CC3=C(C=CC=C23)C2=CC=C(C=3NC4=CC(=CC=C4C23)C(=O)N2CCN(CC2)C)C(=O)N)C=C1 | 3 |
ClS(=O)(=O)O.COC1=CC=C(C=C1)S(=O)(=O)C(C)C>ClCCl.P(Cl)(Cl)(Cl)(Cl)Cl>COC1=C(C=C(C=C1)S(=O)(=O)C(C)C)S(=O)(=O)Cl | 3 |
[NH2:1][C:2]1[CH:10]=[C:9]([O:11][CH3:12])[CH:8]=[CH:7][C:3]=1[C:4]([OH:6])=[O:5].C(N(CC)CC)C.[C:20](Cl)(=[O:25])[C:21]([CH3:24])([CH3:23])[CH3:22].O>C(Cl)Cl>[CH3:22][C:21]([CH3:24])([CH3:23])[C:20]([NH:1][C:2]1[CH:10]=[C:9]([O:11][CH3:12])[CH:8]=[CH:7][C:3]=1[C:4]([OH:6])=[O:5])=[O:25] | 2 |
Cl.FC12CC(C1)(C2)N.C(#N)C=1C=C(C=CC1)CNC(OC1=CC=C(C=C1)[N+](=O)[O-])=O>CCN(CC)CC.CS(=O)C>C(#N)C=1C=C(C=CC1)CNC(=O)NC12CC(C1)(C2)F | 3 |
[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][N:11]([C:14]2[CH:22]=[CH:21][CH:20]=[C:19]3[C:15]=2[CH:16]=[CH:17][N:18]3[Si:23]([CH:30]([CH3:32])[CH3:31])([CH:27]([CH3:29])[CH3:28])[CH:24]([CH3:26])[CH3:25])[CH2:10][CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[CH3:33][N+:34]([CH3:36])=[CH2:35].[I-].C(Cl)Cl>C(#N)C>[C:1]([O:5][C:6]([N:8]1[CH2:9][CH2:10][N:11]([C:14]2[CH:22]=[CH:21][CH:20]=[C:19]3[C:15]=2[C:16]([CH2:33][N:34]([CH3:36])[CH3:35])=[CH:17][N:18]3[Si:23]([CH:24]([CH3:25])[CH3:26])([CH:27]([CH3:29])[CH3:28])[CH:30]([CH3:32])[CH3:31])[CH2:12][CH2:13]1)=[O:7])([CH3:3])([CH3:4])[CH3:2] | 2 |
BrCCC(=O)OC.CC1=NC=CC(=C1)C=1N=C2N(C=CC=N2)C1C1=CC2=C(OCCN2)C=C1>CS(=O)C.[I-].[K+].C(=O)([O-])[O-].[Cs+].[Cs+]>CC1=NC=CC(=C1)C=1N=C2N(C=CC=N2)C1C1=CC2=C(OCCN2CCC(=O)OC)C=C1 | 3 |
C([O:4][C@H:5]1[CH:22]=[CH:21][C@@:20]2([CH3:23])[C:7](=[CH:8][CH2:9][C@@H:10]3[C@@H:19]2[CH2:18][CH2:17][C@@:15]2([CH3:16])[C@H:11]3[CH2:12][CH2:13][C:14]2=[O:24])[CH2:6]1)(=O)C.C(=O)([O-])[O-].[K+].[K+]>CO.O>[OH:4][C@H:5]1[CH:22]=[CH:21][C@@:20]2([CH3:23])[C:7](=[CH:8][CH2:9][C@@H:10]3[C@@H:19]2[CH2:18][CH2:17][C@@:15]2([CH3:16])[C@H:11]3[CH2:12][CH2:13][C:14]2=[O:24])[CH2:6]1 | 1 |
FC1=CC=C2C(=CNC2=C1)C=1CCNCC1.CNC(=O)C=1C=C2CCCN(C2=CC1)CC=O>>FC1=CC=C2C(=CNC2=C1)C=1CCN(CC1)CCN1CCCC2=CC(=CC=C12)C(=O)NC | 5 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.NC=1C=C(C#N)C=C(C1Cl)C1(CNC1)F>>NC=1C(=C(C=C(C1)C#N)C1(CN(C1)C(=O)OC(C)(C)C)F)Cl | 5 |
[NH:1]1[C:9]2[CH:8]=[CH:7][CH:6]=[C:5]([NH2:10])[C:4]=2[CH:3]=[N:2]1.[O-]P([O-])([O-])=O.[K+].[K+].[K+].[F:19][C:20]1[CH:25]=[CH:24][CH:23]=[CH:22][C:21]=1I.CN[C@@H]1CCCC[C@H]1NC>[Cu]I.O1CCOCC1>[F:19][C:20]1[CH:25]=[CH:24][CH:23]=[CH:22][C:21]=1[N:1]1[C:9]2[CH:8]=[CH:7][CH:6]=[C:5]([NH2:10])[C:4]=2[CH:3]=[N:2]1 | 2 |
C(C)(C)(C)OC(=O)NC1=C(C2=NC=C(C=C2O1)CCCN1CCOCC1)C(=O)OCC>O.C1CCCO1.CO[H].[OH-].[Li+]>C(C)(C)(C)OC(=O)NC1=C(C2=NC=C(C=C2O1)CCCN1CCOCC1)C(=O)O | 3 |
ClC1=NC=CC=2C(=C(C=CC12)C)N.FC1=NC=CC=C1C=1C2=C(N=CN1)NC=C2>C1CCCO1.C[Si](C)(C)[N-][Si](C)(C)C.[Li+]>N1=CN=C(C2=C1NC=C2)C=2C(=NC=CC2)NC=2C=1C=CN=C(C1C=CC2C)Cl | 3 |
C[Si](O[C@H]1C(=O)O[C@@H]([C@H]([C@@H]1O[Si](C)(C)C)O[Si](C)(C)C)CO[Si](C)(C)C)(C)C.BrC=1C=CC(=C(C1)CC1=CC(=C(C=C1)OCC)F)Cl>C1CCCO1.CO[H].O=S(=O)(O)C.C(CCC)[Li].CCCCCC>ClC1=C(C=C(C=C1)[C@@]1(O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)OC)CC1=CC(=C(C=C1)OCC)F | 3 |
C(C1=CC=CC=C1)OC1=CC=C(C=C1)B(O)O.ClC1=C(C#N)C(=CN=C1)Cl>>C(C1=CC=CC=C1)OC1=CC=C(C=C1)C1=C(C#N)C(=CN=C1)Cl | 5 |
[N+:1]([C:4]1[CH:12]=[CH:11][CH:10]=[C:9]2[C:5]=1[CH:6]=[N:7][N:8]2[CH2:13][CH2:14][N:15]1[CH2:19][CH2:18][CH2:17][CH2:16]1)([O-])=O.[Cl-].[NH4+]>[Fe].C(O)C>[N:15]1([CH2:14][CH2:13][N:8]2[C:9]3[C:5](=[C:4]([NH2:1])[CH:12]=[CH:11][CH:10]=3)[CH:6]=[N:7]2)[CH2:19][CH2:18][CH2:17][CH2:16]1 | 2 |
O=C1CN(CCC1C(C(F)(F)F)=O)C(=O)OC(C)(C)C>CCO[H].O.NN>C(C)(C)(C)OC(=O)N1CC2=C(CC1)C(=NN2)C(F)(F)F | 3 |
P([O-])([O-])(O)=O.[Na+].[Na+].N[C@@H:9]([C:11]([OH:13])=[O:12])[CH3:10].O=C[C@@H]([C@H]([C@@H:20]([C@@H:22]([CH2:24]O)O)O)O)O.C1N=C(N)C2N=C[N:32]([C@@H:35]3[O:39][C@H](COP(OP(OC[C@H]4O[C@@H](N5C=C(C(N)=O)CC=C5)[C@H](O)[C@@H]4O)(O)=O)(O)=O)[C@@H](O)[C@H]3O)C=2N=1.[C:70]([O-])(=O)C(C)O>O>[CH3:24][C@H:22]1[NH:32][C:35](=[O:39])[CH:9]([C:11]([O:13][CH3:70])=[O:12])[CH2:10][CH2:20]1 | 1 |
CN1N=C(C=C1N)C.ClC1=CC(=C(C=O)C=C1)C.SC(CC(=O)OCC)C(C)=O>>ClC1=CC(=C(C=C1)C1C2=C(N=C(C(S1)CC(=O)OCC)C)N(N=C2C)C)C | 5 |
ONC(C)=N.COC(C1=C(N=CC=C1)N1N=C(C(=C1)CN1CCC2(OCC(C3=C2SC(=C3)Cl)(F)F)CC1)C)=O>>ClC1=CC2=C(C3(OCC2(F)F)CCN(CC3)CC=3C(=NN(C3)C3=NC=CC=C3C3=NC(=NO3)C)C)S1 | 5 |
FC=1C(=NC=C(C1)CN)C1=CC(=NC=C1)C.FC1=NC=CC(=C1F)C1=NC2=CC=CN=C2C=C1>C([O-])([O-])=O.[K+].[K+].CS(=O)C>FC=1C(=NC=C(C1)CNC1=NC=CC(=C1O)C1=NC2=CC=CN=C2C=C1)C1=CC(=NC=C1)C | 3 |
[OH:1][CH2:2][C:3]1([CH2:6][OH:7])[CH2:5][CH2:4]1.N1C=CN=C1.[C:13]([Si:17](Cl)([C:24]1[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=1)[C:18]1[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=1)([CH3:16])([CH3:15])[CH3:14].CO>CN(C)C=O.O>[Si:17]([O:1][CH2:2][C:3]1([CH2:6][OH:7])[CH2:5][CH2:4]1)([C:13]([CH3:16])([CH3:15])[CH3:14])([C:24]1[CH:25]=[CH:26][CH:27]=[CH:28][CH:29]=1)[C:18]1[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=1 | 2 |
N[C@@H](CC(=O)O)CC1=C(C=CC=C1)Cl>CCO[H].Cl>C(C)OC(C[C@@H](CC1=C(C=CC=C1)Cl)N)=O | 3 |
N(=[N+]=[N-])CCC1=NN2C(C=CC=C2)=C1>C1CCCO1.c3c(P(c1ccccc1)c2ccccc2)cccc3>N1=C(C=C2N1C=CC=C2)CCN | 3 |
FC(S(=O)(=O)O[Si](C)(C)C(C)(C)C)(F)F.C(C=C)C1CC(C(CC1(C)C)=O)(C)C(C#CBr)=O>>C(C=C)C1C(C=C(C(C1)(C)C(C#CBr)=O)O[Si](C)(C)C(C)(C)C)(C)C | 5 |
C(#C)C1(CCCCC1)O>CCO[H].[HH].N1=CC=CC2=CC=CC=C12.[Cu].[Pd]>C(=C)C1(CCCCC1)O | 3 |
C1(=CC=CC=C1)CC(=O)O.C(CC)N>CC#N.OC1=CC=CC=2NN=NC21.Cl.CN(CCCN=C=NCC)C>C1(=CC=CC=C1)CCCC(=O)NCCC | 3 |
[CH2:1]1[O:9][C:8]2[CH:7]=[CH:6][C:5]([CH2:10][C:11]([NH:13][S:14]([C:17]3[CH:22]=[CH:21][C:20]([CH:23]([CH3:25])[CH3:24])=[CH:19][CH:18]=3)(=[O:16])=[O:15])=[O:12])=[CH:4][C:3]=2[O:2]1.Br[CH2:27][C:28]1[CH:37]=[CH:36][C:31]([C:32]([O:34][CH3:35])=[O:33])=[CH:30][CH:29]=1>>[CH2:1]1[O:9][C:8]2[CH:7]=[CH:6][C:5]([CH:10]([CH2:27][C:28]3[CH:29]=[CH:30][C:31]([C:32]([O:34][CH3:35])=[O:33])=[CH:36][CH:37]=3)[C:11]([NH:13][S:14]([C:17]3[CH:22]=[CH:21][C:20]([CH:23]([CH3:25])[CH3:24])=[CH:19][CH:18]=3)(=[O:16])=[O:15])=[O:12])=[CH:4][C:3]=2[O:2]1 | 1 |
F[C:2]1[C:7]([C:8]2[CH:9]=[CH:10][C:11]3[O:17][CH2:16][CH2:15][N:14]4[CH:18]=[C:19]([C:21]5[N:25]([CH:26]([CH3:28])[CH3:27])[N:24]=[CH:23][N:22]=5)[N:20]=[C:13]4[C:12]=3[CH:29]=2)=[CH:6][CH:5]=[CH:4][N:3]=1.Cl.C[O:32]CCOC>>[CH:26]([N:25]1[C:21]([C:19]2[N:20]=[C:13]3[C:12]4[CH:29]=[C:8]([C:7]5[C:2](=[O:32])[NH:3][CH:4]=[CH:5][CH:6]=5)[CH:9]=[CH:10][C:11]=4[O:17][CH2:16][CH2:15][N:14]3[CH:18]=2)=[N:22][CH:23]=[N:24]1)([CH3:28])[CH3:27] | 1 |
[Cl:1][C:2]1[CH:9]=[CH:8][CH:7]=[C:6]([Cl:10])[C:3]=1[CH:4]=O.[C:11]([CH2:13][C:14]([OH:16])=[O:15])#[N:12].C([O-])(=O)C.[NH4+].N1C=CC=CC=1.O>C1(C)C=CC=CC=1>[C:11]([C:13](=[CH:4][C:3]1[C:2]([Cl:1])=[CH:9][CH:8]=[CH:7][C:6]=1[Cl:10])[C:14]([OH:16])=[O:15])#[N:12] | 1 |
ClC=1C2=C(N=CN1)N(C=C2C2=NOC(=C2CO)C2CC2)C(C)C>ClCCl.C(C)(=O)OI1(OC(C2=C1C=CC=C2)=O)(OC(C)=O)OC(C)=O>ClC=1C2=C(N=CN1)N(C=C2C2=NOC(=C2C=O)C2CC2)C(C)C | 3 |
[Cl:1][C:2]1[CH:3]=[C:4]2[C:10](B3OC(C)(C)C(C)(C)O3)=[CH:9][N:8]([S:20]([C:23]3[CH:28]=[CH:27][C:26]([CH3:29])=[CH:25][CH:24]=3)(=[O:22])=[O:21])[C:5]2=[N:6][CH:7]=1.Cl[C:31]1[N:36]=[C:35]([NH:37][C@H:38]2[CH2:42][CH2:41][N:40]([C:43]([O:45][C:46]([CH3:49])([CH3:48])[CH3:47])=[O:44])[CH2:39]2)[C:34]([F:50])=[CH:33][N:32]=1>COCCOC.C([O-])([O-])=O.[Na+].[Na+].C1C=CC([P]([Pd]([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)[P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1>[Cl:1][C:2]1[CH:3]=[C:4]2[C:10]([C:31]3[N:36]=[C:35]([NH:37][C@H:38]4[CH2:42][CH2:41][N:40]([C:43]([O:45][C:46]([CH3:48])([CH3:47])[CH3:49])=[O:44])[CH2:39]4)[C:34]([F:50])=[CH:33][N:32]=3)=[CH:9][N:8]([S:20]([C:23]3[CH:24]=[CH:25][C:26]([CH3:29])=[CH:27][CH:28]=3)(=[O:21])=[O:22])[C:5]2=[N:6][CH:7]=1 | 1 |
ClCC(=O)Cl.C(C1=CC=CC=C1)N[C@H](CO)C>>C[C@H]1COCC(N1CC1=CC=CC=C1)=O | 5 |
ON1C(C=2C(C1=O)=CC=CC2)=O.ClC=1C=C(C=C(C1)OCCCO)C(=O)N(CC=C)C1CCCC1>>O=C1N(C(C2=CC=CC=C12)=O)OCCCOC=1C=C(C=C(C1)C(=O)N(CC=C)C1CCCC1)Cl | 5 |
FC=1C=C(C=CC1F)[C@H]1[C@@H](CN(C1)CCOC)NC(NC1=C(C(=NN1C1=CC=CC=C1)OCC(=O)O)C)=O>N(C)(C)C=O.CCN(CC)CC.OC1=CC=CC=2NN=NC21.CCN=C=NCCCN(C)C>FC=1C=C(C=CC1F)[C@H]1[C@@H](CN(C1)CCOC)NC(NC1=C(C(=NN1C1=CC=CC=C1)OCC(=O)NCC)C)=O | 3 |
C1COCCN1.ClCC(=O)NC1=NNC2=CC(=CC=C12)Cl>>ClC1=CC=C2C(=NNC2=C1)NC(CN1CCOCC1)=O | 5 |
O1C(CCCC1)OCCI.Cl.N[C@H]1[C@@H](CC2=CC=CC=C12)NC(=O)C1=CC2=C(N1)SC(=C2)Cl>C(C)(C)N(C(C)C)CC.CN(C(C)=O)C>ClC1=CC2=C(NC(=C2)C(=O)N[C@H]2[C@@H](C3=CC=CC=C3C2)N(CCOC2OCCCC2)C(=O)[C@@H]2OC(OC2)(C)C)S1 | 3 |
ClC=1C=C2C(=CNC2=CC1)C=NO>CO[H].[HH].N.[Al].[Ni]>ClC=1C=C2C(=CNC2=CC1)CN | 3 |
BrC=1C=C(C=C2C(C=C(OC12)N1C[C@H](OCC1)C)=O)C(=O)OC.FC(=C(F)F)[B+2].[H-].[K+].[H-].[H-]>O.C([O-])([O-])=O.[K+].[K+].O1CCOCC1.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@@H]1CN(CCO1)C=1OC2=C(C=C(C=C2C(C1)=O)C(=O)OC)C=C | 3 |
C(C1=CC=CC=C1)(C1=CC=CC=C1)OC(=O)CON=C(C(=O)NC1[C@@H]2N(C(=C(CS2)C=C)C(=O)OC(C2=CC=CC=C2)C2=CC=CC=C2)C1=O)C=1N=C(SC1)N>Cl.C(=O)O.C(C)(C)OC(C)C>NC=1SC=C(N1)C(C(=O)NC1[C@@H]2N(C(=C(CS2)C=C)C(=O)O)C1=O)=NOCC(=O)O | 3 |
[C:1]([C:3]1[CH:4]=[N:5][C:6]([NH:9][C@@H:10]2[CH2:14][CH2:13][NH:12][CH2:11]2)=[N:7][CH:8]=1)#[CH:2].[F:15][C:16]1[CH:24]=[CH:23][C:22]([CH:25]=[O:26])=[CH:21][C:17]=1[C:18](O)=[O:19].F[P-](F)(F)(F)(F)F.N1(OC(N(C)C)=[N+](C)C)C2C=CC=CC=2N=N1.C(N(CC)C(C)C)(C)C>>[C:1]([C:3]1[CH:8]=[N:7][C:6]([NH:9][C@@H:10]2[CH2:14][CH2:13][N:12]([C:18]([C:17]3[CH:21]=[C:22]([CH:23]=[CH:24][C:16]=3[F:15])[CH:25]=[O:26])=[O:19])[CH2:11]2)=[N:5][CH:4]=1)#[CH:2] | 2 |
C(Cl)(=O)C(Cl)=O.CS(C)=O.[OH:11][CH2:12][CH:13]1[CH2:18][CH2:17][N:16]([CH2:19][CH2:20][CH2:21][C:22]([O:24][C:25]([CH3:28])([CH3:27])[CH3:26])=[O:23])[CH2:15][CH2:14]1.C(N(CC)CC)C>C(Cl)Cl.O>[CH:12]([CH:13]1[CH2:18][CH2:17][N:16]([CH2:19][CH2:20][CH2:21][C:22]([O:24][C:25]([CH3:28])([CH3:27])[CH3:26])=[O:23])[CH2:15][CH2:14]1)=[O:11] | 2 |
F[C:2](F)(F)[C:3]([OH:5])=O.[CH:8]1([CH2:14][CH2:15][N:16]2[C:20]3[N:21]=[C:22]([C:25]#[N:26])[N:23]=[CH:24][C:19]=3[CH:18]=[C:17]2[CH2:27][N:28]2[C:32]3[CH:33]=[CH:34][CH:35]=[CH:36][C:31]=3[N:30]([CH:37]3[CH2:42][CH2:41][NH:40][CH2:39][CH2:38]3)[C:29]2=[O:43])[CH2:13][CH2:12][CH2:11][CH2:10][CH2:9]1.C(OC(=O)C)(=O)C>ClCCl.C(N(CC)CC)C>[C:3]([N:40]1[CH2:41][CH2:42][CH:37]([N:30]2[C:31]3[CH:36]=[CH:35][CH:34]=[CH:33][C:32]=3[N:28]([CH2:27][C:17]3[N:16]([CH2:15][CH2:14][CH:8]4[CH2:9][CH2:10][CH2:11][CH2:12][CH2:13]4)[C:20]4[N:21]=[C:22]([C:25]#[N:26])[N:23]=[CH:24][C:19]=4[CH:18]=3)[C:29]2=[O:43])[CH2:38][CH2:39]1)(=[O:5])[CH3:2] | 2 |
C(C1=CC=CC=C1)OC(=O)N1[C@@H](CCC1)C1=NN=NN1>CO[H].[HH].[Pd]>N1[C@@H](CCC1)C1=NN=NN1 | 3 |
O=[CH:2][C@@H:3]([C@H:5]([C@@H:7]([C@@H:9]([CH2:11][OH:12])[OH:10])[OH:8])[OH:6])[OH:4].[NH2:13][CH2:14][CH2:15][N:16]1[CH2:21][CH2:20][NH:19][CH2:18][CH2:17]1>>[N:16]1([CH2:15][CH2:14][NH:13][CH2:2][C@@H:3]([C@H:5]([C@@H:7]([C@@H:9]([CH2:11][OH:12])[OH:10])[OH:8])[OH:6])[OH:4])[CH2:21][CH2:20][NH:19][CH2:18][CH2:17]1 | 1 |
[NH:1]1[CH2:5][CH:4]([CH2:6][C@H:7]([NH:12][CH3:13])[C:8]([O:10][CH3:11])=[O:9])[NH:3][CH2:2]1.O=[CH:15][CH2:16][NH:17][C:18](=[O:24])[O:19][C:20]([CH3:23])([CH3:22])[CH3:21].C([O-])(=O)C.[Na+].C([BH3-])#N.[Na+].Cl.C(=O)([O-])O.[Na+]>CO>[C:20]([O:19][C:18]([NH:17][CH2:16][CH2:15][N:12]([CH3:13])[C@@H:7]([CH2:6][C:4]1[N:3]=[CH:2][NH:1][CH:5]=1)[C:8]([O:10][CH3:11])=[O:9])=[O:24])([CH3:23])([CH3:22])[CH3:21] | 1 |
B1C2CCCC1CCC2.C1COCC1.[CH3:15][N:16]1[CH2:21][CH2:20][C:19](=[CH2:22])[CH2:18][CH2:17]1.C[C:24]1[CH:29]=[CH:28][C:27]([N+:30]([O-:32])=[O:31])=[C:26]([CH3:33])[N:25]=1.C(=O)([O-])[O-].[K+].[K+]>CN(C=O)C.Cl[Pd]Cl.C1(P(C2C=CC=CC=2)[C-]2C=CC=C2)C=CC=CC=1.[C-]1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=C1.[Fe+2]>[CH3:33][C:26]1[C:27]([N+:30]([O-:32])=[O:31])=[CH:28][CH:29]=[C:24]([CH2:22][CH:19]2[CH2:20][CH2:21][N:16]([CH3:15])[CH2:17][CH2:18]2)[N:25]=1 | 1 |
C(C)(=O)N1CC(CCC1)NNC(=O)OC(C)(C)C>O.CO[H].Cl.O1CCOCC1>Cl.N(N)C1CN(CCC1)C(C)=O | 3 |
ClC1=C(C(=CC(=C1)Cl)Cl)OC(CC(=O)OC1=C(C=C(C=C1Cl)Cl)Cl)=O.C(C)(C)(C)OC(=O)N1CCN(CC1)C1=NC=C(N=C1)N>C1CCCO1>C(C)(C)(C)OC(=O)N1CCN(CC1)C=1N=CC=2N(C(C=C(N2)O)=O)C1 | 3 |
[Na].C(=O)(O)[O-].[Na+].[CH3:7][CH2:8][C@@:9]1([OH:37])[C:14](=[O:15])[O:13][CH2:12][C:11]2[C:16]([N:18]3[C:35](=[CH:36][C:10]1=2)[C:34]1[N:33]=[C:23]2[CH:24]=[CH:25][C:26]([OH:32])=[C:27]([CH2:28][N:29]([CH3:31])[CH3:30])[C:22]2=[CH:21][C:20]=1[CH2:19]3)=[O:17].Cl.CC#N>CO.C(Cl)Cl>[CH3:7][CH2:8][C@@:9]1([OH:37])[C:14](=[O:15])[O:13][CH2:12][C:11]2[C:16]([N:18]3[C:35](=[CH:36][C:10]1=2)[C:34]1[N:33]=[C:23]2[CH:24]=[CH:25][C:26]([OH:32])=[C:27]([CH2:28][N:29]([CH3:30])[CH3:31])[C:22]2=[CH:21][C:20]=1[CH2:19]3)=[O:17] | 2 |
[F:1][C:2]1[C:3]([C:21]2[S:25][C:24]([C:26]3([OH:30])[CH2:29][NH:28][CH2:27]3)=[N:23][CH:22]=2)=[C:4]2[CH:10]=[CH:9][N:8]([S:11]([C:14]3[CH:20]=[CH:19][C:17]([CH3:18])=[CH:16][CH:15]=3)(=[O:13])=[O:12])[C:5]2=[N:6][CH:7]=1.C=O.Cl[CH:34](Cl)C.C(O)(=O)C.C([BH3-])#N.[Na+].C(=O)(O)[O-].[Na+]>>[F:1][C:2]1[C:3]([C:21]2[S:25][C:24]([C:26]3([OH:30])[CH2:29][N:28]([CH3:34])[CH2:27]3)=[N:23][CH:22]=2)=[C:4]2[CH:10]=[CH:9][N:8]([S:11]([C:14]3[CH:15]=[CH:16][C:17]([CH3:18])=[CH:19][CH:20]=3)(=[O:13])=[O:12])[C:5]2=[N:6][CH:7]=1 | 1 |
C(C)OC(=O)C1CCC(CC1)(O)C1=NC=C(C=C1)Cl>S(O)(O)(=O)=O>ClC=1C=CC(=NC1)C1=CCC(CC1)C(=O)O | 3 |
ClC1=CC=C(C=C1)S(=O)(=O)N1[C@@H](C[C@H](C1)NS(=O)(=O)C1=CC=C(C=C1)Cl)\C=C/CCCP(=O)(OCC)OCC>ClCCl.C[Si](C)(C)Br>ClC1=CC=C(C=C1)S(=O)(=O)N1[C@@H](C[C@H](C1)NS(=O)(=O)C1=CC=C(C=C1)Cl)\C=C/CCCP(=O)(O)O | 3 |
CO[C:3]([C:5]1[C:6]([OH:31])=[C:7]2[C:12](=[CH:13][N:14]=1)[N:11]([CH2:15][C:16]1[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=1)[C:10](=[O:22])[C:9]([C:23]1[CH:28]=[CH:27][C:26]([C:29]#[N:30])=[CH:25][CH:24]=1)=[CH:8]2)=[O:4].[NH2:32][CH2:33][CH2:34][C:35]([OH:37])=[O:36].C[O-].[Na+]>C([O-])(O)=O.[Na+]>[CH2:15]([N:11]1[C:12]2[C:7](=[C:6]([OH:31])[C:5]([C:3]([NH:32][CH2:33][CH2:34][C:35]([OH:37])=[O:36])=[O:4])=[N:14][CH:13]=2)[CH:8]=[C:9]([C:23]2[CH:28]=[CH:27][C:26]([C:29]#[N:30])=[CH:25][CH:24]=2)[C:10]1=[O:22])[C:16]1[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=1 | 1 |
FC1=CC=C(C=C1)C=1N=C(SC1)CCC(=O)OCC>CO[H].[OH-].[Na+]>FC1=CC=C(C=C1)C=1N=C(SC1)CCC(=O)O | 3 |
COC1=CC(=CC2=C1N=CN2CC2=CC=C(C=C2)OC)N2CCOCC2>C(=O)(C(F)(F)F)O>COC1=CC(=CC2=C1N=CN2)N2CCOCC2 | 3 |
C1N(CCCS(O)(=O)=O)CCOC1.[CH2:14]([OH:18])[CH:15]([OH:17])[CH3:16].[CH3:19][C:20]([CH2:22][OH:23])=[O:21].[C:24]([O-:29])(=[O:28])[CH:25]([CH3:27])[OH:26].[O:30]=[CH:31][C@@H:32]([C@H:34]([C@@H:36]([C@@H:38]([CH2:40][OH:41])[OH:39])[OH:37])[OH:35])[OH:33]>>[CH2:14]([OH:18])[CH:15]([OH:17])[CH3:16].[CH3:19][C:20]([CH2:22][OH:23])=[O:21].[C:24]([O-:29])(=[O:28])[CH:25]([CH3:27])[OH:26].[O:30]=[CH:31][C@@H:32]([C@H:34]([C@@H:36]([C@@H:38]([CH2:40][OH:41])[OH:39])[OH:37])[OH:35])[OH:33] | 2 |
C(CCC)[Sn](C#CC)(CCCC)CCCC.BrC1=CC(=C(C(=C1)C)C=1C(C(CC1OC)CC1=CC=C(C(=N1)NC)C#N)=O)C>>CC1=C(C(=CC(=C1)C#CC)C)C=1C(C(CC1OC)CC1=CC=C(C(=N1)NC)C#N)=O | 5 |
CC(CCC)O.COC=1CCCN1.NC1=CC=CC(=N1)C(=O)NN>C(C)(=O)O>N=1N=C(N2C1CCC2)C2=CC=CC(=N2)N | 3 |
C(CCCCCCCCCCC)N.FC(C1=CC2=C(SC(=C2)C(=O)O)C=C1)(F)F>>FC(C1=CC2=C(SC(=C2)C(=O)[O-])C=C1)(F)F.C(CCCCCCCCCCC)[NH3+] | 5 |
[N+:1]([C:4]1[CH:5]=[CH:6][C:7]([C:10]2[S:14][C:13]([C:15]3([OH:21])[CH2:20][CH2:19][O:18][CH2:17][CH2:16]3)=[N:12][CH:11]=2)=[N:8][CH:9]=1)([O-])=O.CO>[Zn].C(O)(=O)C>[NH2:1][C:4]1[CH:5]=[CH:6][C:7]([C:10]2[S:14][C:13]([C:15]3([OH:21])[CH2:16][CH2:17][O:18][CH2:19][CH2:20]3)=[N:12][CH:11]=2)=[N:8][CH:9]=1 | 1 |
NC1=CC=CC(=N1)S(=O)(=O)NC(=O)C=1C(=NC(=CC1)C1=CC(=CC(=C1)OCC(C)C)F)N1C(C[C@@H](C1)C)(C)C>N(C)(C)C=O.C(=O)([O-])[O-].[Cs+].[Cs+]>NC1=CC=CC(=N1)S(=O)(=O)N(C(=O)C=1C(=NC(=CC1)C1=CC(=CC(=C1)OCC(C)C)F)N1C(C[C@@H](C1)C)(C)C)C | 3 |
[Br-].C[Mg+].CON(C(=O)C1CC(CC1)C1=NN(C=C1)COC)C>C1CCCO1>COCN1N=C(C=C1)C1CC(CC1)C(C)=O | 3 |
CC(C)OC[C@H](NC(=O)OCC1=CC=CC=C1)C(=O)OC>>OC[C@H](COC(C)C)NC(OCC1=CC=CC=C1)=O | 5 |
O(Cl)Cl.P.O=C1NC=NN=C1CNC(=O)C1CCCC1>CC#N>C1(CCCC1)C1=NC=C2C(NC=NN21)=O | 3 |
[C-]#N.[Na+].C(C)(C)(C)OC(=O)N(C1CCC2(CC(C2)CS(=O)(=O)[O-])CC1)C>O.CS(=O)C.[I-].[K+]>C(#N)C1CC2(C1)CCC(CC2)N(C(OC(C)(C)C)=O)C | 4 |
C(C)(C)(C)OC(=O)NC[C@@H]1CC[C@H](CC1)C(=O)N[C@H](C(=O)NC1=CC=C(C=C1)C=1NC(=NN1)C(C(C(C(=O)O)(F)F)(F)F)(F)F)CC1=CC=C(C=C1)C1=C(C=C(C=C1)C(NC1CCC(CC1)N(C)C)=O)C>>Cl.NC[C@@H]1CC[C@H](CC1)C(=O)N[C@H](C(=O)NC1=CC=C(C=C1)C=1NC(=NN1)C(C(C(C(=O)O)(F)F)(F)F)(F)F)CC1=CC=C(C=C1)C1=C(C=C(C=C1)C(NC1CCC(CC1)N(C)C)=O)C | 5 |
C(C)(=O)O.C(=N)N.O=C1CN(CCC1C(=O)OCC)C(=O)OC(C)(C)C>CCO[H].Cl.[Na]>C(C)(C)(C)OC(=O)N1CC=2N=CNC(C2CC1)=O | 3 |
[CH3:1][S:2](Cl)(=[O:4])=[O:3].[NH2:6][C:7]1[S:8][C:9]([C:18]2[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=2)=[C:10]([C:12]2[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=2)[N:11]=1.N1C=CC=CC=1>ClCCl>[CH3:1][S:2]([NH:6][C:7]1[S:8][C:9]([C:18]2[CH:19]=[CH:20][CH:21]=[CH:22][CH:23]=2)=[C:10]([C:12]2[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=2)[N:11]=1)(=[O:4])=[O:3] | 1 |
BrC1=CC(=C(C#N)C=C1)C(F)(F)F>>FC(C1=C(C#N)C=CC(=C1)C=C)(F)F | 5 |
C1(CC1)C1=C(CC=2C=C3CCCOC3=CC2)C=C(C=C1)C1O[C@@H]([C@H]([C@@H]([C@H]1OCC1=CC=CC=C1)OCC1=CC=CC=C1)OCC1=CC=CC=C1)COCC1=CC=CC=C1>C1CCCO1.[HH].[Pd]>O1CCCC2=CC(=CC=C12)CC=1C=C(C=CC1C1CC1)[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO | 3 |
O1[C@H](CCC1)COS(=O)(=O)C1=CC=C(C=C1)C.BrC1=CC2=C(C=C1)C1(C(NC3=CC=CC=C13)=O)CO2>>BrC1=CC2=C(C=C1)C1(C(N(C3=CC=CC=C13)C[C@@H]1OCCC1)=O)CO2 | 5 |
ClC1=C(C=CC=C1Cl)S(=O)(=O)N(C=1N=CC(=NC1OC)SC[C@H](NC(=O)OC(C)(C)C)C(=O)O)COCC[Si](C)(C)C>C1CCCO1.C(C(C)C)OC(=O)Cl>NC([C@H](CSC1=NC(=C(N=C1)N(COCC[Si](C)(C)C)S(=O)(=O)C1=C(C(=CC=C1)Cl)Cl)OC)NC(OC(C)(C)C)=O)=O | 3 |
C(C)(C)(C)OC(=O)N1C(C(CC1)O[Si](C)(C)C(C)(C)C)CC1=CNC2=NC=CC=C21>C1CCCO1.[F-].C(CCC)[N+](CCCC)(CCCC)CCCC>C(C)(C)(C)OC(=O)N1C(C(CC1)O)CC1=CNC2=NC=CC=C21 | 3 |
[F:1][C:2]1[C:3]([O:43]C)=[CH:4][C:5]([CH2:38][C:39]([F:42])([F:41])[F:40])=[C:6]([C:8]2[N:13]=[C:12]3[N:14](C(OC(C)(C)C)=O)[N:15]=[C:16]([C:17](=[O:20])[NH:18][CH3:19])[C:11]3=[C:10]([NH:28][CH2:29][C:30]3[CH:35]=[CH:34][CH:33]=[CH:32][C:31]=3[NH:36][CH3:37])[N:9]=2)[CH:7]=1.[H-].[Na+].[S:47](Cl)(=[O:50])(=[O:49])[NH2:48].B(Br)(Br)Br>C1COCC1>[F:1][C:2]1[C:3]([OH:43])=[CH:4][C:5]([CH2:38][C:39]([F:42])([F:41])[F:40])=[C:6]([C:8]2[N:13]=[C:12]3[NH:14][N:15]=[C:16]([C:17]([NH:18][CH3:19])=[O:20])[C:11]3=[C:10]([NH:28][CH2:29][C:30]3[CH:35]=[CH:34][CH:33]=[CH:32][C:31]=3[N:36]([CH3:37])[S:47](=[O:50])(=[O:49])[NH2:48])[N:9]=2)[CH:7]=1 | 2 |
FC(=CC1=C(C=CC=C1F)C1OCCO1)F>C1CCCO1.[F-].C(CCC)[N+](CCCC)(CCCC)CCCC>FC=1C(=C(C=CC1)C1OCCO1)CC(F)(F)F | 3 |
C1(O)=CC(O)=CC(O)=C1>C1(=CC=CC=C1)C.S(O)(O)(=O)=O.CO[H].C([O-])([O-])=O.[K+].[K+]>COC=1C=C(C=C(C1)OC)O | 3 |
C(C=C)Br.C1(CC1)NC(C=1C=C(C(=O)O)C=CC1)=O>>C(C=C)N(C(C=1C=C(C(=O)O)C=CC1)=O)C1CC1 | 5 |
[C:1]([C:3]1[CH:4]=[C:5]([CH2:15][O:16][C:17]2[CH:18]=[C:19]3[C:23](=[CH:24][CH:25]=2)[N:22]([C:26](=[O:34])[CH2:27][NH:28][CH2:29][CH2:30][C:31]([OH:33])=[O:32])[CH2:21][CH2:20]3)[CH:6]=[CH:7][C:8]=1[CH:9]1[CH2:14][CH2:13][CH2:12][CH2:11][CH2:10]1)#[N:2].[C:35]([BH3-])#N.[Na+].O.C(=O)([O-])O.[Na+]>CO.C=O.C(O)(=O)C.CO.C(Cl)(Cl)Cl>[C:1]([C:3]1[CH:4]=[C:5]([CH2:15][O:16][C:17]2[CH:18]=[C:19]3[C:23](=[CH:24][CH:25]=2)[N:22]([C:26](=[O:34])[CH2:27][N:28]([CH2:29][CH2:30][C:31]([OH:33])=[O:32])[CH3:35])[CH2:21][CH2:20]3)[CH:6]=[CH:7][C:8]=1[CH:9]1[CH2:14][CH2:13][CH2:12][CH2:11][CH2:10]1)#[N:2] | 2 |
BrC=1C=C(C(=O)O)C=C(C1)I.NC1=C(C=C(C=C1)CC)CC(=O)OC(C)(C)C>N(C)(C)C=O.CCN(CC)CC.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>BrC=1C=C(C(=O)NC2=C(C=C(C=C2)CC)CC(=O)OC(C)(C)C)C=C(C1)I | 3 |
ClC1=CC=2C3=C(N(C2C=C1)CC(C)(O)C=1C=NC=NC1)CCN(C3)C>>ClC1=CC=2C3=C(N(C2C=C1)\C=C(/C)\C=1C=NC=NC1)CCN(C3)C | 5 |
ClC=1C(=C(C=CC1)NC1=NC=NC2=CC(=C(C=C12)[N+](=O)[O-])C#C[C@@]12CN(C[C@H]2C1)C1COC1)F>O.CO[H].[Fe].[Cl-].[NH4+]>ClC=1C(=C(C=CC1)NC1=NC=NC2=CC(=C(C=C12)N)C#C[C@@]12CN(C[C@H]2C1)C1COC1)F | 3 |
FC(C(=O)OC(C(F)F)=O)F.N(N)C(=O)C=1C=NC(=NC1)CN(S(=O)(=O)C)C1=CC=CC=C1>O.C1CCCO1.CCN(CC)CC>FC(C1=NN=C(O1)C=1C=NC(=NC1)CN(S(=O)(=O)C)C1=CC=CC=C1)F | 3 |
[Br:1][C:2]1[C:6]2[CH:7]=[C:8]([CH2:11]Cl)[CH:9]=[CH:10][C:5]=2[S:4][CH:3]=1.[OH:13][C:14]1[CH:19]=[CH:18][C:17]([C@@H:20]([C:27]#[C:28][CH3:29])[CH2:21][C:22]([O:24][CH2:25][CH3:26])=[O:23])=[CH:16][CH:15]=1.C([O-])([O-])=O.[K+].[K+]>CC#N>[Br:1][C:2]1[C:6]2[CH:7]=[C:8]([CH2:11][O:13][C:14]3[CH:15]=[CH:16][C:17]([C@@H:20]([C:27]#[C:28][CH3:29])[CH2:21][C:22]([O:24][CH2:25][CH3:26])=[O:23])=[CH:18][CH:19]=3)[CH:9]=[CH:10][C:5]=2[S:4][CH:3]=1 | 2 |
NC=1SC(=CN1)C.C1(=CC=CC=C1)COC=1C=C(C(=O)O)C=C(C1)O[C@H](CO[Si](C)(C)C(C)(C)C)C>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>C(C1=CC=CC=C1)OC=1C=C(C(=O)NC=2SC(=CN2)C)C=C(C1)O[C@H](CO[Si](C)(C)C(C)(C)C)C | 3 |
COC1=CC=C(C=C1)N1C([C@@H]([C@@H]1C=C)O[Si](C(C)C)(C(C)C)C(C)C)=O>C1CCCO1.[F-].C(CCC)[N+](CCCC)(CCCC)CCCC>O[C@H]1C(N([C@H]1C=C)C1=CC=C(C=C1)OC)=O | 3 |
[CH3:1][CH:2]([N:4]1[CH2:9][CH2:8][C:7]([NH:14][C:15]2[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=2)([C:10]([O:12][CH3:13])=[O:11])[CH2:6][CH2:5]1)[CH3:3].[Cl:21][C:22]1[CH:27]=[CH:26][C:25]([CH2:28][C:29](Cl)=[O:30])=[CH:24][CH:23]=1.[C:32](=[O:35])([O-:34])[O-].[Na+].[Na+].[OH-].[Na+]>CC1C=CC=CC=1C>[C:10]([OH:12])(=[O:11])[C:32]([OH:34])=[O:35].[Cl:21][C:22]1[CH:27]=[CH:26][C:25]([CH2:28][C:29]([N:14]([C:7]2([C:10]([O:12][CH3:13])=[O:11])[CH2:8][CH2:9][N:4]([CH:2]([CH3:1])[CH3:3])[CH2:5][CH2:6]2)[C:15]2[CH:16]=[CH:17][CH:18]=[CH:19][CH:20]=2)=[O:30])=[CH:24][CH:23]=1 | 1 |
C1COCCN1.ClC=1C=C(C=CC1)N=C=O>C(C)OCC>ClC=1C=C(C=CC1)NC(=O)N1CCOCC1 | 3 |
[OH:1][C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][CH:11]=1)[C:8]([NH:12][C:13]1[CH:14]=[C:15]([CH:21]=[CH:22][CH:23]=1)[C:16]([O:18][CH2:19][CH3:20])=[O:17])=[CH:7][CH:6]=[CH:5]2.[Cl:24][C:25]1[CH:30]=[CH:29][CH:28]=[C:27]([Cl:31])[C:26]=1[C:32]1[C:36]([CH2:37]O)=[C:35]([CH:39]([CH3:41])[CH3:40])[O:34][N:33]=1.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>ClCCl>[Cl:31][C:27]1[CH:28]=[CH:29][CH:30]=[C:25]([Cl:24])[C:26]=1[C:32]1[C:36]([CH2:37][O:1][C:2]2[CH:3]=[C:4]3[C:9](=[CH:10][CH:11]=2)[C:8]([NH:12][C:13]2[CH:14]=[C:15]([CH:21]=[CH:22][CH:23]=2)[C:16]([O:18][CH2:19][CH3:20])=[O:17])=[CH:7][CH:6]=[CH:5]3)=[C:35]([CH:39]([CH3:41])[CH3:40])[O:34][N:33]=1 | 2 |
CC([O-])(C)C.[K+].[CH3:7]/[CH:8]=[CH:9]/[CH3:10].[Li]CCCC.C([O:19][B:20](OC(C)C)[O:21]C(C)C)(C)C.C([K])/C=C/C.Cl.[Na+].[Cl-].[C:37]([C@@H:43]([C@H:45]([C:47]([O:49][CH:50]([CH3:52])[CH3:51])=[O:48])[OH:46])[OH:44])([O:39][CH:40]([CH3:42])[CH3:41])=[O:38]>CCOCC.C1COCC1>[CH2:7]([B:20]([OH:21])[OH:19])/[CH:8]=[CH:9]/[CH3:10].[C:47]([C@@H:45]([C@H:43]([C:37]([O:39][CH:40]([CH3:42])[CH3:41])=[O:38])[OH:44])[OH:46])([O:49][CH:50]([CH3:51])[CH3:52])=[O:48] | 1 |
[CH2:1]([O:8][C:9]1[CH:14]=[CH:13][C:12]([C:15]2[O:16][C:17]3[CH:23]=[C:22]([OH:24])[CH:21]=[CH:20][C:18]=3[N:19]=2)=[CH:11][C:10]=1[F:25])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.O[CH:27]([CH3:38])[C@@H:28]([NH:30][C:31](=[O:37])[O:32][C:33]([CH3:36])([CH3:35])[CH3:34])[CH3:29]>>[CH2:1]([O:8][C:9]1[CH:14]=[CH:13][C:12]([C:15]2[O:16][C:17]3[CH:23]=[C:22]([O:24][CH:27]([CH3:38])[C@@H:28]([NH:30][C:31](=[O:37])[O:32][C:33]([CH3:36])([CH3:35])[CH3:34])[CH3:29])[CH:21]=[CH:20][C:18]=3[N:19]=2)=[CH:11][C:10]=1[F:25])[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1 | 1 |
C(C(=O)OCC)(=O)OCC.BrC1=C(C(=NC=C1)N)N>>BrC1=CC=NC=2NC(C(NC21)=O)=O | 3 |
Br[C:2]1[CH:3]=[C:4]2[C:10]([CH:11]=[O:12])=[N:9][N:8]([CH:13]3[CH2:18][CH2:17][CH2:16][CH2:15][O:14]3)[C:5]2=[N:6][CH:7]=1.B1(B2OC(C)(C)C(C)(C)O2)OC(C)(C)C(C)(C)O1.CC([O-])=O.[K+].Br[C:43]1[CH:44]=[C:45]([NH:49][C:50](=[O:53])[CH2:51][CH3:52])[CH:46]=[N:47][CH:48]=1.P([O-])([O-])([O-])=O.[K+].[K+].[K+]>CN(C=O)C.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].O.C(Cl)Cl>[CH:11]([C:10]1[C:4]2[C:5](=[N:6][CH:7]=[C:2]([C:43]3[CH:44]=[C:45]([NH:49][C:50](=[O:53])[CH2:51][CH3:52])[CH:46]=[N:47][CH:48]=3)[CH:3]=2)[N:8]([CH:13]2[CH2:18][CH2:17][CH2:16][CH2:15][O:14]2)[N:9]=1)=[O:12] | 1 |
[NH2:1][C:2]1[N:7]=[C:6]([C:8]2[CH:13]=[C:12]([Br:14])[CH:11]=[CH:10][C:9]=2[OH:15])[CH:5]=[C:4]([NH:16][C:17]2[CH:22]=[CH:21][C:20]([Cl:23])=[CH:19][CH:18]=2)[N:3]=1.[Cl:24][C:25]1[CH:32]=[CH:31][C:28]([CH2:29]Cl)=[CH:27][CH:26]=1.C(=O)([O-])[O-].[Cs+].[Cs+].[I-].[K+]>C(#N)C>[Br:14][C:12]1[CH:11]=[CH:10][C:9]([O:15][CH2:29][C:28]2[CH:31]=[CH:32][C:25]([Cl:24])=[CH:26][CH:27]=2)=[C:8]([C:6]2[N:7]=[C:2]([NH2:1])[N:3]=[C:4]([NH:16][C:17]3[CH:22]=[CH:21][C:20]([Cl:23])=[CH:19][CH:18]=3)[CH:5]=2)[CH:13]=1 | 1 |
C(C)(C)(C)[Si](C1=CC=CC=C1)(C1=CC=CC=C1)Cl.COC1=CC=C(C(C2=CC=C(C=C2)OC)(C2=CC=CC=C2)OC[C@@H]2[C@H](C[C@@H](O2)N2C(=O)NC(=O)C(C)=C2)O)C=C1>N(C)(C)C=O.c1cnc[nH]1>COC1=CC=C(C=C1)C(OC[C@@H]1[C@H](C[C@@H](O1)N1C(NC(C(=C1)C)=O)=O)O[Si](C1=CC=CC=C1)(C1=CC=CC=C1)C(C)(C)C)(C1=CC=CC=C1)C1=CC=C(C=C1)OC | 3 |
ClC=1C=C(C(=O)O)C=CC1.ClC=1C=CC2=C(CCC=3C(=NC=CC3)C2=C2CCN(CC2)C(=O)OCC)C1>ClCCl>ClC=1C=CC2=C(CCC=3C(=[N+](C=CC3)[O-])C2=C2CCN(CC2)C(=O)OCC)C1 | 3 |
[Cr](Cl)([O-])(=O)=O.[NH+]1C=CC=CC=1.[CH3:12][O:13][C:14]1[C:23]2[C:18](=[CH:19][CH:20]=[CH:21][CH:22]=2)[C:17]([O:24][CH3:25])=[CH:16][C:15]=1[CH2:26][OH:27].[O-]S([O-])(=O)=O.[Mg+2]>C(Cl)Cl>[CH3:12][O:13][C:14]1[C:23]2[C:18](=[CH:19][CH:20]=[CH:21][CH:22]=2)[C:17]([O:24][CH3:25])=[CH:16][C:15]=1[CH:26]=[O:27] | 1 |
[N+:1]([C:4]1[CH:9]=[CH:8][C:7]([S:10](Cl)(=[O:12])=[O:11])=[CH:6][CH:5]=1)([O-:3])=[O:2].[CH2:14]([NH2:18])[CH2:15][CH2:16][CH3:17]>C1COCC1.CN(C)C1C=CN=CC=1>[CH2:14]([NH:18][S:10]([C:7]1[CH:8]=[CH:9][C:4]([N+:1]([O-:3])=[O:2])=[CH:5][CH:6]=1)(=[O:12])=[O:11])[CH2:15][CH2:16][CH3:17] | 1 |
[C:1]1(=[O:18])[N:5]([CH:6]2[CH2:11][CH2:10][C:9](=O)[CH2:8][CH2:7]2)[C:4](=[O:13])[C:3]2=[CH:14][CH:15]=[CH:16][CH:17]=[C:2]12.[NH:19]([C:21]1[CH:29]=[CH:28][C:24]([C:25]([OH:27])=[O:26])=[CH:23][CH:22]=1)N>C(O)(=O)C>[C:25]([C:24]1[CH:23]=[C:22]2[C:21](=[CH:29][CH:28]=1)[NH:19][C:9]1[CH2:10][CH2:11][CH:6]([N:5]3[C:4](=[O:13])[C:3]4=[CH:14][CH:15]=[CH:16][CH:17]=[C:2]4[C:1]3=[O:18])[CH2:7][C:8]2=1)([OH:27])=[O:26] | 1 |
N[C@@H](C)C(=O)N1C2CN[C@](CC1)(C2CCCB2O[C@@]1([C@H](O2)C[C@H]2C([C@@H]1C2)(C)C)C)C(=O)O>O.Cl>N[C@@H](C)C(=O)N1C2CN[C@](CC1)(C2CCCB(O)O)C(=O)O | 3 |
FC1=C(C=CC=C1)N1N=NC(=C1C)C(C)N1C=C(C2=C1N=CN=C2N=CN(C)C)C=2C=NC(=NC2)C(F)(F)F>O1CCOCC1.N>FC1=C(C=CC=C1)N1N=NC(=C1C)C(C)N1C=C(C2=C1N=CN=C2N)C=2C=NC(=NC2)C(F)(F)F | 3 |
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