smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
[F:1][C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][CH:10]=1)[NH:7][CH:6]=[C:5]2[CH:11]1[CH2:15][C:14](=[O:16])[NH:13][C:12]1=[O:17].[Cl:18]C1C=C2C(C=CN2)=CC=1F.C1(=O)NC(=O)C=C1>>[Cl:18][C:10]1[CH:9]=[C:8]2[C:4]([C:5]([CH:11]3[CH2:15][C:14](=[O:16])[NH:13][C:12]3=[O:17])=[CH:6][NH:7]2)=[CH:3][C:2]=1[F:1] | 2 |
O=C1C2C(=CC=CC=2)C(=O)[N:3]1[CH2:12][C:13]1([CH3:31])[N:17]2[C:18](=[O:29])[C:19]([NH:22][C:23]3[CH:28]=[CH:27][N:26]=[CH:25][N:24]=3)=[CH:20][CH:21]=[C:16]2[C:15](=[O:30])[NH:14]1>CO.O.NN>[NH2:3][CH2:12][C:13]1([CH3:31])[N:17]2[C:18](=[O:29])[C:19]([NH:22][C:23]3[CH:28]=[CH:27][N:26]=[CH:25][N:24]=3)=[CH:20][CH:21]=[C:16]2[C:15](=[O:30])[NH:14]1 | 1 |
[Br-].CC(C)[Zn+].ClC=1C2=C3N(N=C2C=CC1)C(=CC(N3)=O)C3CCN(CC3)C(=O)OC(C)(C)C>C1CCCO1.[Cl-].[Li+].C1(CCCCC1)P(C1=C(C=CC=C1)C=1C(=CC=CC1N(C)C)N(C)C)C1CCCCC1.CS(=O)(=O)O[Pd]c1ccccc1-c2ccccc2N.CN(C)c3cccc(N(C)C)c3-c4ccccc4P(C5CCCCC5)C6CCCCC6>C(C(C)C)C=1C2=C3N(N=C2C=CC1)C(=CC(N3)=O)C3CCN(CC3)C(=O)OC(C)(C)C | 3 |
[CH3:1][N:2]([CH3:35])[C:3]1[CH:4]=[CH:5][C:6]([N+:32]([O-])=O)=[C:7]([CH:31]=1)[C:8]([NH:10][CH2:11][CH:12]1[CH2:17][CH2:16][N:15]([CH:18]([C:25]2[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=2)[C:19]2[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=2)[CH2:14][CH2:13]1)=[O:9].[H][H]>CO.[Ni]>[NH2:32][C:6]1[CH:5]=[CH:4][C:3]([N:2]([CH3:35])[CH3:1])=[CH:31][C:7]=1[C:8]([NH:10][CH2:11][CH:12]1[CH2:13][CH2:14][N:15]([CH:18]([C:19]2[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=2)[C:25]2[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=2)[CH2:16][CH2:17]1)=[O:9] | 1 |
ClC(=O)OCC1=CC=CC=C1.FC1=CC=C(C=C1)C(N1CC2(C3(OCCO3)CCNC2)CC1)C1=CC=C(C=C1)F>ClCCl.CCN(CC)CC>FC1=CC=C(C=C1)C(N1CC2(C3(OCCO3)CCN(C2)C(=O)OCC2=CC=CC=C2)CC1)C1=CC=C(C=C1)F | 3 |
NC(C(=O)O)CC1=CN(C2=CC=CC=C12)C>O.O1CCOCC1.C(O)([O-])=O.[Na+].C(OCC1C2=CC=CC=C2C=2C=CC=CC12)(ON1C(CCC1=O)=O)=O>C(=O)(OCC1C2=CC=CC=C2C2=CC=CC=C12)NC(C(=O)O)CC1=CN(C2=CC=CC=C12)C | 3 |
[Si](C)(C)(C(C)(C)C)OC(COC)C1=NC=C(C=C1)[N+](=O)[O-]>>[Si](C)(C)(C(C)(C)C)OC(COC)C1=CC=C(C=N1)N | 5 |
BrCC(=O)OC(C)(C)C.Cl.NCCC(=O)N1CCC2=CC(=CC=C12)OCC=1SC(=C(C1)C1=CC=CC=C1)C(F)(F)F>>C(C)(C)(C)OC(CNCCC(N1CCC2=CC(=CC=C12)OCC=1SC(=C(C1)C1=CC=CC=C1)C(F)(F)F)=O)=O | 5 |
ClCC=1N(C2=CC=C(C=C2C1C(F)(F)F)C1CC1)COCC[Si](C)(C)C>N(C)(C)C=O.[N-]=[N+]=[N-].[Na+]>N(=[N+]=[N-])CC=1N(C2=CC=C(C=C2C1C(F)(F)F)C1CC1)COCC[Si](C)(C)C | 3 |
NC1=NC=CC(=N1)C=1C(=NN(C1)C(C)C)C=1C(=C(C=CC1)N(S(=O)(=O)C1=C(C=CC(=C1)F)F)COC)F>FC(C(=O)O)(F)F.O>NC1=NC=CC(=N1)C=1C(=NN(C1)C(C)C)C=1C(=C(C=CC1)NS(=O)(=O)C1=C(C=CC(=C1)F)F)F | 3 |
[CH3:1][C:2]1([CH3:14])[O:6][B:5]([C:7]2[CH:8]=[N:9][NH:10][CH:11]=2)[O:4][C:3]1([CH3:13])[CH3:12].C(N(CC)CC)C.[CH2:22]([S:24](Cl)(=[O:26])=[O:25])[CH3:23]>ClCCl>[CH2:22]([S:24]([N:9]1[CH:8]=[C:7]([B:5]2[O:6][C:2]([CH3:14])([CH3:1])[C:3]([CH3:13])([CH3:12])[O:4]2)[CH:11]=[N:10]1)(=[O:26])=[O:25])[CH3:23] | 2 |
[Li]CCCC.Br[C:7]1[S:8][CH:9]=[CH:10][N:11]=1.[CH2:12]([O:19][C:20]1[CH:21]=[C:22]([CH:25]=[CH:26][C:27]=1[N+:28]([O-:30])=[O:29])[CH:23]=[O:24])[C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1.[NH4+].[Cl-]>CCOCC.C1COCC1>[CH2:12]([O:19][C:20]1[CH:21]=[C:22]([CH:23]([C:7]2[S:8][CH:9]=[CH:10][N:11]=2)[OH:24])[CH:25]=[CH:26][C:27]=1[N+:28]([O-:30])=[O:29])[C:13]1[CH:14]=[CH:15][CH:16]=[CH:17][CH:18]=1 | 1 |
CC=1C=C(C(=O)N)C=CC1>C1(=CC=CC=C1)C.C1CCCO1.C1(=CC=CC=C1)[SiH3].[F-].C(CCC)[N+](CCCC)(CCCC)CCCC>C1(=CC(=CC=C1)C#N)C | 3 |
Cl.CC1(NCCOC1)C.FC=1C=NC2=CC=CC(=C2N1)C1=CC=2C(NCCC2N1)=O>>CC1(COCCN1C=1C=NC2=CC=CC(=C2N1)C1=CC=2C(NCCC2N1)=O)C | 5 |
C(C1=CC=CC=C1)OC1=CC=C(C=C1)Br.C(C1=CC=CC=C1)OC1=C2C=CNC2=CC=C1>O1CCOCC1.N1[C@H](C(=O)O)CCC1.P(=O)([O-])([O-])[O-].[K+].[K+].[K+]>C1(=CC=CC=C1)COC1=C2C=CN(C2=CC=C1)C1=CC=C(C=C1)OCC1=CC=CC=C1 | 3 |
N1(N=CN=C1)CC(=O)O>ClCCl.C(C(=O)Cl)(=O)Cl>N1(N=CN=C1)CC(=O)Cl | 3 |
BrCC(=O)C1=CC=CC=C1.ClC1=C(CC=2C(=NN3C2C(NC(=C3C)C)=O)N3C[C@@H](CCC3)NC(OC(C)(C)C)=O)C=CC=C1>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>ClC1=C(CC=2C(=NN3C2C(N(C(=C3C)C)CC(C3=CC=CC=C3)=O)=O)N3C[C@@H](CCC3)NC(OC(C)(C)C)=O)C=CC=C1 | 3 |
[Cl:1][C:2]1[C:11]2[C:10](=[O:12])OC(=O)[NH:7][C:6]=2[CH:5]=[CH:4][CH:3]=1.[NH2:14][C:15]1[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1>O1CCOCC1>[NH2:7][C:6]1[CH:5]=[CH:4][CH:3]=[C:2]([Cl:1])[C:11]=1[C:10]([NH:14][C:15]1[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1)=[O:12] | 2 |
CC[C@H]1[C@H]2C[C@H]([C@H](OC3C4C(=CC=CC=4)C(O[C@H](C4C=CN=C5C=4C=C(OC)C=C5)[C@@H]4N5C[C@H](CC)[C@@H](CC5)C4)=NN=3)C3C=CN=C4C=3C=C(OC)C=C4)N(CC2)C1.C([O-])(=O)C=C.[CH3:64][C:65]1[CH:70]=[CH:69][C:68]([S:71]([N-:74][Cl:75])(=[O:73])=[O:72])=[CH:67][CH:66]=1.O.O.O.[Na+].S([O-])([O-])=O.[Na+].[Na+].CC1C=CC(S(N)(=O)=O)=CC=1>C(#N)C.O>[CH3:64][C:65]1[CH:70]=[CH:69][C:68]([S:71]([NH:74][Cl:75])(=[O:73])=[O:72])=[CH:67][CH:66]=1 | 1 |
[Br:1][C:2]1[CH:7]=[CH:6][C:5]([O:8][CH2:9][CH2:10]Br)=[CH:4][CH:3]=1.[NH:12]1[CH:16]=[CH:15][CH:14]=[N:13]1.C(=O)([O-])[O-].[Cs+].[Cs+]>C(#N)C>[Br:1][C:2]1[CH:7]=[CH:6][C:5]([O:8][CH2:9][CH2:10][N:12]2[CH:16]=[CH:15][CH:14]=[N:13]2)=[CH:4][CH:3]=1 | 1 |
C1(S([N:10]2[CH:14]=[C:13]([C:15]#[C:16][CH2:17][CH2:18][CH2:19][CH:20]3[CH2:25][CH2:24][CH2:23][CH2:22][CH2:21]3)[C:12]([C:26]3[CH:27]=[N:28][CH:29]=[CH:30][CH:31]=3)=[N:11]2)(=O)=O)C=CC=CC=1.C1(S(N2C=C(C#CCCCC)C(C3C=NC=CC=3)=N2)(=O)=O)C=CC=CC=1.C(C1C(C2CN(C)CCC=2)=NNC=1)#CCCCC>>[CH:20]1([CH2:19][CH2:18][CH2:17][C:16]#[C:15][C:13]2[C:12]([C:26]3[CH:27]=[N:28][CH:29]=[CH:30][CH:31]=3)=[N:11][NH:10][CH:14]=2)[CH2:25][CH2:24][CH2:23][CH2:22][CH2:21]1 | 2 |
OC(C)[C@H]1C(N([C@@H]1[S-])CC(=O)OC(C)([Si](C)(C)C)C(=O)OCC=C)=O.[Ag+]>ClCCl.C[Si](C)(C)C(C(=O)N)[Si](C)(C)C>C[Si](OC(C)[C@H]1C(N([C@@H]1[S-])CC(=O)OC(C)([Si](C)(C)C)C(=O)OCC=C)=O)(C)C.[Ag+] | 3 |
COC(=O)C1CCN(CC1)C1=NC=C(C=C1[N+](=O)[O-])Cl>CO[H].C(C)(=O)OCC.[Pt]=S>COC(=O)C1CCN(CC1)C1=NC=C(C=C1N)Cl | 3 |
C(=O)(O)CC1=CC(=C(C(=O)O)C=C1)O>>CC1(OC(C2=C(O1)C=C(C=C2)CC(=O)O)=O)C | 5 |
FC=1C=C(C[C@@H]2NC(O[C@@H]2[C@H]2N(CC3=CC=CC=C3C2)C(=O)OC(C)(C)C)=O)C=C(C1)F>ClCCl.C(=O)(C(F)(F)F)O>FC=1C=C(C[C@@H]2NC(O[C@@H]2[C@H]2NCC3=CC=CC=C3C2)=O)C=C(C1)F | 3 |
C(CC(=O)C)(=O)OCC.ClC=1C=C(N)C=CC1>O.CCO[H].F[B-](F)(F)F.[H+].N(=O)[O-].[Na+].C(C)(=O)[O-].[Na+]>C(C)OC(C(C(C)=O)=NNC1=CC(=CC=C1)Cl)=O | 3 |
[H-].[Al+3].[Li+].[H-].[H-].[H-].[Cl:7][C:8]1[CH:9]=[CH:10][C:11]2[N:17]3[C:18]([CH:21]4[CH2:23][CH2:22]4)=[N:19][N:20]=[C:16]3[C@@H:15]([CH2:24][C:25](OCC)=[O:26])[O:14][C@H:13]([C:30]3[CH:35]=[CH:34][CH:33]=[C:32]([O:36][CH3:37])[C:31]=3[O:38][CH3:39])[C:12]=2[CH:40]=1.C(C(C(C([O-])=O)O)O)([O-])=O.[Na+].[K+]>O1CCCC1>[Cl:7][C:8]1[CH:9]=[CH:10][C:11]2[N:17]3[C:18]([CH:21]4[CH2:23][CH2:22]4)=[N:19][N:20]=[C:16]3[C@@H:15]([CH2:24][CH2:25][OH:26])[O:14][C@H:13]([C:30]3[CH:35]=[CH:34][CH:33]=[C:32]([O:36][CH3:37])[C:31]=3[O:38][CH3:39])[C:12]=2[CH:40]=1 | 2 |
O1CCCC1.[NH2:6][CH:7]1[C:28](=[O:29])[N:9]2[C:10]([C:15]([O:17]CC3C=CC([N+]([O-])=O)=CC=3)=[O:16])=[C:11]([Cl:14])[CH2:12][S:13][C@H:8]12.Cl>[Fe].O>[NH2:6][CH:7]1[C:28](=[O:29])[N:9]2[C:10]([C:15]([OH:17])=[O:16])=[C:11]([Cl:14])[CH2:12][S:13][C@H:8]12 | 1 |
FC1=CC=C(C=C1)C=1C2=C(SC1OC1=CC=C(C=C1)OC)C=C(C=C2)OC>>FC1=CC=C(C=C1)C=1C2=C(SC1OC1=CC=C(C=C1)O)C=C(C=C2)O | 5 |
[C:1]1([CH2:7][CH2:8][C:9]([C@@H:11]2[CH2:16][CH2:15][C@H:14]([CH2:17][NH:18][C:19](=[O:25])[O:20][C:21]([CH3:24])([CH3:23])[CH3:22])[CH2:13][CH2:12]2)=[O:10])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[BH4-].[Na+]>C(O)C>[OH:10][CH:9]([C@@H:11]1[CH2:16][CH2:15][C@H:14]([CH2:17][NH:18][C:19](=[O:25])[O:20][C:21]([CH3:23])([CH3:22])[CH3:24])[CH2:13][CH2:12]1)[CH2:8][CH2:7][C:1]1[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1 | 1 |
N[C@@H](C)[C@@H]1CC(N(C1)[C@@H](C)C1=CC=CC=C1)=O>C(=O)(C(F)(F)F)O>NC[C@H]1CC(N[C@@H]1C)=O | 3 |
C(C)(=O)O[C@@H]1[C@]2(C)[C@@H](CC1)[C@@H]1[C@@H](C=C3CC(CC[C@]3(C)[C@H]1CC2)=O)C>>C(C)(=O)O[C@@H]1[C@]2(C)[C@@H](CC1)[C@@H]1[C@@H](C=C3C[C@H](CC[C@]3(C)[C@H]1CC2)O)C | 5 |
Cl[C:2]1[CH:3]=[C:4]([C:9]2[N:13]3[CH:14]=[CH:15][C:16]([C:19]([OH:22])([CH3:21])[CH3:20])=[C:17]([F:18])[C:12]3=[N:11][CH:10]=2)[CH:5]=[CH:6][C:7]=1[F:8].[Cl:23][C:24]1[CH:25]=[C:26](B(O)O)[CH:27]=[C:28]([Cl:30])[CH:29]=1>>[Cl:23][C:24]1[CH:25]=[C:26]([C:2]2[CH:3]=[C:4]([C:9]3[N:13]4[CH:14]=[CH:15][C:16]([C:19]([OH:22])([CH3:21])[CH3:20])=[C:17]([F:18])[C:12]4=[N:11][CH:10]=3)[CH:5]=[CH:6][C:7]=2[F:8])[CH:27]=[C:28]([Cl:30])[CH:29]=1 | 1 |
CC1(C)C(C)(C)OB([C:9]2[CH:10]=[CH:11][C:12]3[O:16][C:15]([CH:17]4[CH2:22][CH2:21][N:20]([C:23]([O:25][C:26]([CH3:29])([CH3:28])[CH3:27])=[O:24])[CH2:19][CH2:18]4)=[N:14][C:13]=3[CH:30]=2)O1.Br[C:33]1[CH:38]=[CH:37][C:36]([O:39][CH:40]([CH3:42])[CH3:41])=[C:35]([F:43])[CH:34]=1>>[F:43][C:35]1[CH:34]=[C:33]([C:9]2[CH:10]=[CH:11][C:12]3[O:16][C:15]([CH:17]4[CH2:22][CH2:21][N:20]([C:23]([O:25][C:26]([CH3:27])([CH3:29])[CH3:28])=[O:24])[CH2:19][CH2:18]4)=[N:14][C:13]=3[CH:30]=2)[CH:38]=[CH:37][C:36]=1[O:39][CH:40]([CH3:42])[CH3:41] | 1 |
C(C)(C)(C)OCCO.FC=1C(=NC=CC1)[C@@]12[C@@H](CN(CC1)C(=O)C1=CC(=C(C=C1)F)Cl)OCO2>N(C)(C)C=O.[H-].[Na+]>C(C)(C)(C)OCCOC=1C(=NC=CC1)[C@@]12[C@@H](CN(CC1)C(=O)C1=CC(=C(C=C1)OCCOC(C)(C)C)Cl)OCO2 | 3 |
Cl[C:2]1[CH:7]=[C:6]([C:8]2[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=2)[N:5]=[C:4]([NH:14][C:15](=[O:32])[CH2:16][CH2:17][C:18]([C:20]2[CH:25]=[CH:24][C:23]([O:26][CH2:27][CH3:28])=[C:22]([O:29][CH2:30][CH3:31])[CH:21]=2)=[O:19])[CH:3]=1.C1(C2C=CC=CC=2)C=CC=CC=1P(C1CCCCC1)C1CCCCC1.C(=O)([O-])[O-].[K+].[K+].CC1(C)C(C)(C)OB([C:72]2[CH:73]=[C:74]([CH2:78][C:79]#[N:80])[CH:75]=[CH:76][CH:77]=2)O1>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]>[C:79]([CH2:78][C:74]1[CH:73]=[C:72]([C:2]2[CH:7]=[C:6]([C:8]3[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=3)[N:5]=[C:4]([NH:14][C:15](=[O:32])[CH2:16][CH2:17][C:18]([C:20]3[CH:25]=[CH:24][C:23]([O:26][CH2:27][CH3:28])=[C:22]([O:29][CH2:30][CH3:31])[CH:21]=3)=[O:19])[CH:3]=2)[CH:77]=[CH:76][CH:75]=1)#[N:80] | 2 |
NC1CCC2C(=CC=CC=2O[Si](C(C)(C)C)(C2C=CC=CC=2)C2C=CC=CC=2)C1.C1(C2N=C(CBr)OC=2C2C=CC=CC=2)C=CC=CC=1.C(=O)([O-])[O-].[K+].[K+].[C:55]1([C:61]2[N:62]=[C:63]([CH2:72][NH:73][CH:74]3[CH2:83][CH2:82][C:81]4[C:76](=[CH:77][CH:78]=[CH:79][C:80]=4[O:84][Si](C(C)(C)C)(C4C=CC=CC=4)C4C=CC=CC=4)[CH2:75]3)[O:64][C:65]=2[C:66]2[CH:71]=[CH:70][CH:69]=[CH:68][CH:67]=2)[CH:60]=[CH:59][CH:58]=[CH:57][CH:56]=1.[F-].C([N+](CCCC)(CCCC)CCCC)CCC>CN(C=O)C.C1COCC1>[C:55]1([C:61]2[N:62]=[C:63]([CH2:72][NH:73][CH:74]3[CH2:83][CH2:82][C:81]4[C:76](=[CH:77][CH:78]=[CH:79][C:80]=4[OH:84])[CH2:75]3)[O:64][C:65]=2[C:66]2[CH:71]=[CH:70][CH:69]=[CH:68][CH:67]=2)[CH:60]=[CH:59][CH:58]=[CH:57][CH:56]=1 | 1 |
O=C1NC(CCC1N1C(C2=CC=CC(=C2C1=O)O)=O)=O.ClC1=C(C=C(OCCCC2=C(N(C3=C(C=CC=C23)C=2C(=NN(C2C)C)C)CCCOCCOS(=O)(=O)C)C(=O)OC(C)(C)C)C=C1C)C>N(C)(C)C=O.C([O-])(O)=O.[K+].C([O-])([O-])=O.[K+].[K+].[I-].[K+]>ClC1=C(C=C(OCCCC2=C(N(C3=C(C=CC=C23)C=2C(=NN(C2C)C)C)CCCOCCOC2=C3C(N(C(C3=CC=C2)=O)C2C(NC(CC2)=O)=O)=O)C(=O)OC(C)(C)C)C=C1C)C | 3 |
C(CCC(=O)C)(=O)OCC>C(C)OCC.BrBr>BrC(CC(=O)OCC)C(C)=O | 3 |
COCCBr.ClC=1C=C(NC2=NC=NC3=CC(=CC(=C23)OC[C@@H]2N(CCC2)C(CO)=O)O)C=CC1F>>ClC=1C=C(NC2=NC=NC3=CC(=CC(=C23)OC[C@@H]2N(CCC2)C(CO)=O)OCCOC)C=CC1F | 5 |
BrCC=1C=C(C(=O)OC)C=CC1>N(C)(C)C=O.C(C)(C)N>C(C)(C)NCC=1C=C(C(=O)OC)C=CC1 | 3 |
CC(C(=O)Cl)C.COC(=O)C=1C=C(C=C(C1)N)C1=CC=C(C=C1)C>>COC(=O)C=1C=C(C=C(C1)NC(C(C)C)=O)C1=CC=C(C=C1)C | 5 |
ClC1=CC(=NC=N1)NC.CN1CCN(CC1)CC=1C=C(C=CC1)N>Cl.O1CCOCC1>CNC1=NC=NC(=C1)NC1=CC(=CC=C1)CN1CCN(CC1)C | 3 |
[CH2:1]([S:8]([NH:11][C:12]([CH:14]1[CH2:19][CH2:18][N:17]([C:20]2[C:28]([C:29]#[N:30])=[CH:27][C:23]([C:24]([OH:26])=[O:25])=[C:22]([CH2:31][N:32]3[CH2:36][CH2:35][CH2:34][C:33]3=[O:37])[N:21]=2)[CH2:16][CH2:15]1)=[O:13])(=[O:10])=[O:9])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.Cl.C(N=C=N[CH2:44][CH2:45][CH2:46]N(C)C)C>CC(O)C.CN(C1C=CN=CC=1)C>[CH2:1]([S:8]([NH:11][C:12]([CH:14]1[CH2:19][CH2:18][N:17]([C:20]2[C:28]([C:29]#[N:30])=[CH:27][C:23]([C:24]([O:26][CH:45]([CH3:46])[CH3:44])=[O:25])=[C:22]([CH2:31][N:32]3[CH2:36][CH2:35][CH2:34][C:33]3=[O:37])[N:21]=2)[CH2:16][CH2:15]1)=[O:13])(=[O:9])=[O:10])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 2 |
O=C1NC(CCC1N1C(C2=CC=CC(=C2C1=O)NCCCCCCCCO)=O)=O>C1(=CC=NC=C1)N(C)C.ClCCl.CCN(CC)CC.C1(=CC=C(C=C1)S(=O)(=O)Cl)C>CC1=CC=C(C=C1)S(=O)(=O)OCCCCCCCCNC1=C2C(N(C(C2=CC=C1)=O)C1C(NC(CC1)=O)=O)=O | 3 |
[OH:1][C:2]1[CH:9]=[CH:8][C:5]([CH:6]=[O:7])=[CH:4][C:3]=1[N+:10]([O-:12])=[O:11].[H-].[Na+].Br[CH2:16][C:17]([O:19][CH2:20][CH3:21])=[O:18]>O1CCCC1.CN(C=O)C>[CH2:20]([O:19][C:17](=[O:18])[CH2:16][O:1][C:2]1[CH:9]=[CH:8][C:5]([CH:6]=[O:7])=[CH:4][C:3]=1[N+:10]([O-:12])=[O:11])[CH3:21] | 1 |
BrCCCCCl.CC=1SC(=C(N1)C)C1=NC(NC=C1)=O>>ClCCCCN1C(N=C(C=C1)C1=C(N=C(S1)C)C)=O | 5 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]([CH:22]=[CH:23][C:24]=1[N+:25]([O-])=O)[C:6]([NH:8][C:9]1[CH:14]=[CH:13][C:12]([NH:15][S:16]([CH3:19])(=[O:18])=[O:17])=[C:11]([O:20][CH3:21])[CH:10]=1)=[O:7].[CH3:28][S:29](Cl)(=[O:31])=[O:30].Cl>CO.C(OCC)(=O)C.[Pd].N1C=CC=CC=1>[CH3:28][S:29]([NH:25][C:24]1[CH:23]=[CH:22][C:5]([C:6]([NH:8][C:9]2[CH:14]=[CH:13][C:12]([NH:15][S:16]([CH3:19])(=[O:18])=[O:17])=[C:11]([O:20][CH3:21])[CH:10]=2)=[O:7])=[CH:4][C:3]=1[O:2][CH3:1])(=[O:31])=[O:30] | 1 |
NC=1C=C(C(=NC1)Br)F.CC1=C(NC(C(=O)O)=O)C(=CC=C1)C.ClC1=C(C(=O)N2CCN(CC2)C(=O)C2CCN(CC2)C(=O)OC(C)(C)C)C=CC(=C1)NC(=O)C=1N(C(=CN1)C=1C(=NNC1)C(F)(F)F)C>[Cu]I.O.CS(=O)C.P(O)(O)(O)=O.C(C)(=O)[O-].[K+]>NC=1C=C(C(=NC1)N1N=C(C(=C1)C1=CN=C(N1C)C(=O)NC1=CC(=C(C(=O)N2CCN(CC2)C(=O)C2CCN(CC2)C(=O)OC(C)(C)C)C=C1)Cl)C(F)(F)F)F | 3 |
C(OC([NH:8][CH2:9][CH2:10][CH2:11][NH:12][C:13]([CH2:15][O:16][C:17]1[CH:18]=[C:19]([CH:40]=[CH:41][CH:42]=1)[CH2:20][NH:21][C:22]1[N:26]([C@@H:27]2[O:33][C@H:32]([CH2:34][OH:35])[C@@H:30]([OH:31])[C@H:28]2[OH:29])[C:25]2[CH:36]=[CH:37][CH:38]=[CH:39][C:24]=2[N:23]=1)=[O:14])=O)(C)(C)C>Cl.C(O)C>[NH2:8][CH2:9][CH2:10][CH2:11][NH:12][C:13]([CH2:15][O:16][C:17]1[CH:18]=[C:19]([CH:40]=[CH:41][CH:42]=1)[CH2:20][NH:21][C:22]1[N:26]([C@@H:27]2[O:33][C@H:32]([CH2:34][OH:35])[C@@H:30]([OH:31])[C@H:28]2[OH:29])[C:25]2[CH:36]=[CH:37][CH:38]=[CH:39][C:24]=2[N:23]=1)=[O:14] | 1 |
C(=O)(OC(C)(C)C)N[C@@H](CO)C(=O)O.CI>N(C)(C)C=O.Cl.[H-].[Na+]>C(=O)(OC(C)(C)C)N[C@@H](COC)C(=O)O | 3 |
ClC1=C(C=CC=C1Cl)C=CC(=O)O>CO[H].[Mg]>ClC1=C(C=CC=C1Cl)CCC(=O)O | 3 |
[Na].Cl.[NH2:3][C:4]([NH2:6])=[NH:5].[NH2:7][C:8]1[C:9]([C:21](OC)=[O:22])=[N:10][C:11]([Cl:20])=[C:12]([C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=2)[N:13]=1>CO.CN(C)C=O>[C:4]([NH:6][C:21]([C:9]1[C:8]([NH2:7])=[N:13][C:12]([C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=2)=[C:11]([Cl:20])[N:10]=1)=[O:22])(=[NH:3])[NH2:5] | 2 |
FC1=CC=C(C=C1)C1=CC(=C(C=C1)NC(OC(C)(C)C)=O)NC(C1=CC=C(C=C1)S(=O)(=N)C1=NC=C(C=C1)C)=O>ClCCl.C(=O)(C(F)(F)F)O>NC1=C(C=C(C=C1)C1=CC=C(C=C1)F)NC(C1=CC=C(C=C1)S(=O)(=N)C1=NC=C(C=C1)C)=O | 3 |
C(C)(C)(C)C1=C(C=CC(=C1)C(C)C)N1CCN(CC1)C(C(=O)OCC)=O>>C(C)(C)(C)C1=C(C=CC(=C1)C(C)C)N1CCN(CC1)C(C(=O)O)=O | 5 |
[NH2:1]/[C:2](/[C:7]#[N:8])=[C:3](\[NH2:6])/[C:4]#[N:5].[C:9](OC)(OC)(OC)[CH2:10][CH2:11][CH3:12]>>[CH2:10]([C:9]1[NH:1][C:2]([C:7]#[N:8])=[C:3]([C:4]#[N:5])[N:6]=1)[CH2:11][CH3:12] | 1 |
[CH3:1][N:2]1[CH2:6][CH2:5][CH:4]([C:7]([O:9]C(C)(C)C)=[O:8])[N:3]1C(OC(C)(C)C)=O.C(O)(C(F)(F)F)=O.O>ClCCl>[CH3:1][N:2]1[CH2:6][CH2:5][CH:4]([C:7]([OH:9])=[O:8])[NH:3]1 | 1 |
[F:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[C:8]1[N:12]=[N:11][N:10]([CH3:13])[C:9]=1[CH2:14][O:15][C:16]1[CH:21]=[CH:20][C:19](I)=[CH:18][N:17]=1.[NH:23]1[CH:27]=[C:26]([C:28]#[N:29])[N:25]=[CH:24]1.C(=O)([O-])[O-].[Cs+].[Cs+]>CN(C=O)C.[Cu-]=O>[F:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[C:8]1[N:12]=[N:11][N:10]([CH3:13])[C:9]=1[CH2:14][O:15][C:16]1[N:17]=[CH:18][C:19]([N:23]2[CH:27]=[C:26]([C:28]#[N:29])[N:25]=[CH:24]2)=[CH:20][CH:21]=1 | 1 |
BrC=1C=C(C=NC1Cl)S(=O)(=O)NC1=NC=C(C=C1OC)Cl>C1CCCO1.CNC>BrC=1C=C(C=NC1N(C)C)S(=O)(=O)NC1=NC=C(C=C1OC)Cl | 3 |
ClC=1C(=NC(=C(C1)F)N1C(N(C(=CC1=O)C(F)(F)F)C)=O)C=O>O.C1CCCO1.Cl.NO>ClC=1C(=NC(=C(C1)F)N1C(N(C(=CC1=O)C(F)(F)F)C)=O)C=NO | 3 |
ClC=1C=CC(=NC1)N.FC1=CC=C(C=C1)C1(C(N(CC1)CC(=O)O)=O)C1=CC=C(C=C1)F>>FC1=CC=C(C=C1)C1(C(N(CC1)CC(=O)NC1=NC=C(C=C1)Cl)=O)C1=CC=C(C=C1)F | 5 |
FC(C=1C=C(C=CC1)S(=O)(=O)Cl)(F)F.NC1CC2(CN(C2)C(=O)OC(C)(C)C)C1>ClCCl.C(C)(C)N(C(C)C)CC>C(C)(C)(C)OC(=O)N1CC2(C1)CC(C2)NS(=O)(=O)C2=CC(=CC=C2)C(F)(F)F | 3 |
[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][CH:11]([OH:14])[CH2:10][CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[Cl:15][C:16]1[CH:25]=[C:24]([N+:26]([O-:28])=[O:27])[CH:23]=[C:18]([C:19]([O:21][CH3:22])=[O:20])[C:17]=1O.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.N(C(OCC)=O)=NC(OCC)=O>ClCCl>[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][CH:11]([O:14][C:17]2[C:18]([C:19]([O:21][CH3:22])=[O:20])=[CH:23][C:24]([N+:26]([O-:28])=[O:27])=[CH:25][C:16]=2[Cl:15])[CH2:10][CH2:9]1)=[O:7])([CH3:4])([CH3:2])[CH3:3] | 1 |
Cl[C:2]1[C:11]2[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=2)[C:5]([CH2:12][O:13][C:14]2[CH:19]=[C:18]([CH:20]([CH3:22])[CH3:21])[CH:17]=[CH:16][C:15]=2[CH3:23])=[C:4]([CH3:24])[N:3]=1.[CH:25]([C:28]1[CH:36]=[CH:35][C:34]2[NH:33][N:32]=[CH:31][C:30]=2[C:29]=1B(O)O)([CH3:27])[CH3:26].C([O-])([O-])=O.[Na+].[Na+].O>O1CCOCC1.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>[CH:25]([C:28]1[C:29]([C:2]2[C:11]3[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=3)[C:5]([CH2:12][O:13][C:14]3[CH:19]=[C:18]([CH:20]([CH3:22])[CH3:21])[CH:17]=[CH:16][C:15]=3[CH3:23])=[C:4]([CH3:24])[N:3]=2)=[C:30]2[C:34](=[CH:35][CH:36]=1)[NH:33][N:32]=[CH:31]2)([CH3:27])[CH3:26] | 1 |
CC1(OB(OC1(C)C)C1=CC=C(N)C=C1)C.BrC1=CC(=C(C=C1)NC(=O)C=1N(C=C(N1)C#N)COCC[Si](C)(C)C)C1=CCCCC1>>NC1=CC=C(C=C1)C1=CC(=C(C=C1)NC(=O)C=1N(C=C(N1)C#N)COCC[Si](C)(C)C)C1=CCCCC1 | 5 |
[Cl:1][C:2]1[CH:3]=[C:4]([S:8]([C:11]2[C:19]3[C:14](=[N:15][CH:16]=[CH:17][CH:18]=3)[N:13]([CH2:20][CH2:21][N:22](C)[CH3:23])[CH:12]=2)(=[O:10])=[O:9])[CH:5]=[CH:6][CH:7]=1.ClC(OC(Cl)C)=O>ClCCCl>[ClH:1].[Cl:1][C:2]1[CH:3]=[C:4]([S:8]([C:11]2[C:19]3[C:14](=[N:15][CH:16]=[CH:17][CH:18]=3)[N:13]([CH2:20][CH2:21][NH:22][CH3:23])[CH:12]=2)(=[O:10])=[O:9])[CH:5]=[CH:6][CH:7]=1 | 1 |
FC(C(C(N)C(=O)OCC)C(F)(F)F)(F)F.FC=1C=C(C=C(C1F)F)S(=O)(=O)Cl>>C(C)OC(C(C(C(F)(F)F)C(F)(F)F)NS(=O)(=O)C1=CC(=C(C(=C1)F)F)F)=O | 5 |
N1(CCC1)C1=NC2=C(N1COCC[Si](C)(C)C)C=CC=C2>>N1(CCC1)C1=NC2=C(N1)C=CC=C2 | 5 |
ICCC[Si](CCC1=C2C(=NC=3C4=CC5=C(C(N4CC13)=O)COC([C@]5(O)CC)=O)C=CC=C2)(C)C>>COP(OC)(=O)CCC[Si](C)(C)CCC1=C2C(=NC=3C4=CC5=C(C(N4CC13)=O)COC([C@]5(O)CC)=O)C=CC=C2 | 5 |
C([O:3][C:4](=[O:27])[C:5]1[CH:17]=[C:16]([C:18]([N:20]2[CH2:24][CH2:23][C:22]([F:26])([F:25])[CH2:21]2)=[O:19])[CH:15]=[C:7]([C:8]([N:10]([CH3:14])[CH2:11][CH2:12][CH3:13])=[O:9])[CH:6]=1)C.[OH-].[Li+].C1COCC1.Cl>O>[F:26][C:22]1([F:25])[CH2:23][CH2:24][N:20]([C:18]([C:16]2[CH:15]=[C:7]([C:8]([N:10]([CH3:14])[CH2:11][CH2:12][CH3:13])=[O:9])[CH:6]=[C:5]([CH:17]=2)[C:4]([OH:27])=[O:3])=[O:19])[CH2:21]1 | 1 |
C1(=O)C2C(C3C(C=2)=CC=CC=3)=CC=C1.[Na].[CH3:16][O:17][C:18]1[CH:19]=[CH:20][C:21]2[N:27]=[CH:26][CH:25]=[C:24]([C@H:28]([OH:39])[C@@H:29]3[N:34]4[CH2:35][C@H:36]([CH:37]=[CH2:38])[CH:31]([CH2:32][CH2:33]4)[CH2:30]3)[C:22]=2[CH:23]=1>C1(C)C=CC=CC=1>[CH3:16][O:17][C:18]1[CH:19]=[CH:20][C:21]2[N:27]=[CH:26][CH:25]=[C:24]([C:28]([C@@H:29]3[N:34]4[CH2:35][C@H:36]([CH:37]=[CH2:38])[C@@H:31]([CH2:32][CH2:33]4)[CH2:30]3)=[O:39])[C:22]=2[CH:23]=1 | 1 |
[F:1][C:2]([F:12])([F:11])[O:3][C:4]1[CH:5]=[C:6]([SH:10])[CH:7]=[CH:8][CH:9]=1.[CH3:13][C:14]1([CH3:23])[O:18][C@@H:17]2[CH2:19][O:20][C:21](=[O:22])[C@@H:16]2[O:15]1.C(=O)([O-])[O-].[K+].[K+].CCOC(C)=O>CN(C=O)C>[CH3:13][C:14]1([CH3:23])[O:15][C@@H:16]([C:21]([OH:22])=[O:20])[C@@H:17]([CH2:19][S:10][C:6]2[CH:7]=[CH:8][CH:9]=[C:4]([O:3][C:2]([F:1])([F:11])[F:12])[CH:5]=2)[O:18]1 | 2 |
COC1=NC=NN2C1=C(C=C2)B2OC(C(O2)(C)C)(C)C>COCCOC.C(=O)([O-])[O-].[Cs+].[Cs+].Cl[Pd]Cl.C(C)(C)(C)P(C1=CC=C(C=C1)N(C)C)C(C)(C)C.C(C)(C)(C)P(C1=CC=C(C=C1)N(C)C)C(C)(C)C>BrC=1C=C2C(=NC1)N=C(N2CC=2OC(=NN2)C)C | 3 |
[Cl:1][C:2]1[N:6]2[CH:7]=[C:8]([CH:15]3[CH2:17][CH2:16]3)[CH:9]=[C:10]([C:11]([F:14])([F:13])[F:12])[C:5]2=[N:4][C:3]=1[C:18](O)=[O:19].Cl.[OH:22][CH:23]1[CH2:27][N:26]([CH:28]2[CH2:33][CH2:32][NH:31][CH2:30][CH2:29]2)[C:25](=[O:34])[CH2:24]1.CCN(C(C)C)C(C)C.O>CN(C)C=O>[Cl:1][C:2]1[N:6]2[CH:7]=[C:8]([CH:15]3[CH2:16][CH2:17]3)[CH:9]=[C:10]([C:11]([F:13])([F:12])[F:14])[C:5]2=[N:4][C:3]=1[C:18]([N:31]1[CH2:32][CH2:33][CH:28]([N:26]2[CH2:27][CH:23]([OH:22])[CH2:24][C:25]2=[O:34])[CH2:29][CH2:30]1)=[O:19] | 2 |
Cl.[NH2:2][C:3]1[N:7]([C:8]2[CH:9]=[C:10]([CH2:14][OH:15])[CH:11]=[CH:12][CH:13]=2)[N:6]=[C:5]([C:16]([CH3:19])([CH3:18])[CH3:17])[CH:4]=1.N1C=CN=C1.[CH3:25][C:26]([Si:29](Cl)(C)[CH3:30])([CH3:28])[CH3:27]>CN(C=O)C>[C:16]([C:5]1[CH:4]=[C:3]([NH2:2])[N:7]([C:8]2[CH:13]=[CH:12][CH:11]=[C:10]([CH2:14][O:15][SiH:29]([C:26]([CH3:28])([CH3:27])[CH3:25])[CH3:30])[CH:9]=2)[N:6]=1)([CH3:19])([CH3:18])[CH3:17] | 1 |
C(N(CC)CC)C.[OH:8][CH:9]([C:14]1[N:15]=[CH:16][NH:17][CH:18]=1)[CH2:10][C:11]([OH:13])=O.CN(C(ON1N=NC2C=CC=CC1=2)=[N+](C)C)C.[B-](F)(F)(F)F.Cl.[NH2:42][C@H:43]([CH2:62][C:63]1[CH:68]=[CH:67][C:66]([O:69][CH3:70])=[CH:65][CH:64]=1)[C:44]([N:46]1[CH2:49][C:48]([O:57][CH2:58][CH2:59][CH2:60][CH3:61])([C:50]2[CH:55]=[CH:54][CH:53]=[CH:52][C:51]=2[CH3:56])[CH2:47]1)=[O:45].[OH-].[Na+]>CN(C)C=O>[CH2:58]([O:57][C:48]1([C:50]2[CH:55]=[CH:54][CH:53]=[CH:52][C:51]=2[CH3:56])[CH2:49][N:46]([C:44](=[O:45])[C@H:43]([NH:42][C:11](=[O:13])[CH2:10][CH:9]([OH:8])[C:14]2[N:15]=[CH:16][NH:17][CH:18]=2)[CH2:62][C:63]2[CH:68]=[CH:67][C:66]([O:69][CH3:70])=[CH:65][CH:64]=2)[CH2:47]1)[CH2:59][CH2:60][CH3:61] | 1 |
[Sn](Cl)(Cl)(Cl)Cl.[C:6]12([O:16][CH2:17][CH:18]3[O:20][CH2:19]3)CC3C[CH:12](CC(C3)C1)[CH2:13]2.C12([OH:31])CC3CC(CC(C3)C1)C2.C(C1OC1)Cl>>[CH2:6]([O:16][CH2:17][CH:18]1[O:20][CH2:19]1)[CH:13]1[O:31][CH2:12]1 | 1 |
[CH2:1]([O:3][C:4]1[C:8]([CH2:9][CH2:10][CH2:11][OH:12])=[CH:7][N:6]([C:13]2[CH:18]=[CH:17][C:16]([C:19]([F:22])([F:21])[F:20])=[CH:15][N:14]=2)[N:5]=1)[CH3:2].[CH:23]1([N:29]2[C:33]([CH2:34][CH2:35][C:36]([O:38]CC)=[O:37])=[CH:32][C:31](O)=[N:30]2)[CH2:28][CH2:27][CH2:26][CH2:25][CH2:24]1.C(P(CCCC)CCCC)CCC.N(C(N1CCCCC1)=O)=NC(N1CCCCC1)=O>O1CCCC1>[CH:23]1([N:29]2[C:33]([CH2:34][CH2:35][C:36]([OH:38])=[O:37])=[CH:32][C:31]([O:12][CH2:11][CH2:10][CH2:9][C:8]3[C:4]([O:3][CH2:1][CH3:2])=[N:5][N:6]([C:13]4[CH:18]=[CH:17][C:16]([C:19]([F:21])([F:20])[F:22])=[CH:15][N:14]=4)[CH:7]=3)=[N:30]2)[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28]1 | 2 |
NC1=CC=C(C(=O)NC)C=C1.ClC1=NC=CC(=N1)N1CC(C1)OC1=C(C=C(C=C1)Cl)Cl>CN(C(C)=O)C.C(=O)([O-])[O-].[Cs+].[Cs+]>ClC1=C(OC2CN(C2)C2=NC(=NC=C2)NC2=CC=C(C(=O)NC)C=C2)C=CC(=C1)Cl | 3 |
[F:1][C:2]1([F:19])[CH2:5][CH:4]([NH:6][C:7]2[N:15]=[CH:14][C:13]([CH:16]([F:18])[F:17])=[CH:12][C:8]=2[C:9]([OH:11])=O)[CH2:3]1.[CH3:20][C:21]([NH2:25])([C:23]#[CH:24])[CH3:22].C1C=CC2N(O)N=NC=2C=1.CCN=C=NCCCN(C)C.CCN(C(C)C)C(C)C>C(Cl)Cl>[F:19][C:2]1([F:1])[CH2:3][CH:4]([NH:6][C:7]2[N:15]=[CH:14][C:13]([CH:16]([F:18])[F:17])=[CH:12][C:8]=2[C:9]([NH:25][C:21]([CH3:22])([C:23]#[CH:24])[CH3:20])=[O:11])[CH2:5]1 | 2 |
BrCCCO.C1(=CC=CC=C1)C(CC(=O)OCC)C1=CNC2=CC(=CC=C12)O>>C1(=CC=CC=C1)C(CC(=O)OCC)C1=CNC2=CC(=CC=C12)OCCCO | 5 |
[OH:1][C:2]1[CH:3]=[C:4]([CH:7]=[C:8]([N+:11]([O-:13])=[O:12])[C:9]=1[OH:10])[CH:5]=[O:6].C([O-])([O-])=O.[Cs+].[Cs+].[Na+].[I-].Br[CH:23]([CH3:25])[CH3:24].Cl>CN(C=O)C.CCOC(C)=O>[OH:10][C:9]1[C:8]([N+:11]([O-:13])=[O:12])=[CH:7][C:4]([CH:5]=[O:6])=[CH:3][C:2]=1[O:1][CH:23]([CH3:25])[CH3:24] | 1 |
[C:1]1(C(C)C)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[O-]O.[C:12]1([CH:18]([CH3:20])[CH3:19])[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=1.CC(C)(C1C=CC=CC=1)[OH:23]>CC(C)=O>[C:1]1([OH:23])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[CH3:20][C:18]([C:12]1[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=1)=[CH2:19] | 1 |
[F:1][C:2]1[CH:3]=[C:4]([CH:29]=[CH:30][C:31]=1[F:32])[CH2:5][NH:6][C:7]([C:9]1[C:17]2[C:12](=[CH:13][C:14]([OH:18])=[CH:15][CH:16]=2)[N:11]([CH2:19][C:20]2[CH:25]=[CH:24][CH:23]=[CH:22][N:21]=2)[C:10]=1[C:26]([OH:28])=[O:27])=[O:8].OS(O)(=O)=O.I[CH:39]([CH3:41])[CH3:40].[C:42]([O-])([O-])=O.[K+].[K+]>CO.CN(C=O)C.CCOC(C)=O>[F:1][C:2]1[CH:3]=[C:4]([CH:29]=[CH:30][C:31]=1[F:32])[CH2:5][NH:6][C:7]([C:9]1[C:17]2[C:12](=[CH:13][C:14]([O:18][CH:39]([CH3:41])[CH3:40])=[CH:15][CH:16]=2)[N:11]([CH2:19][C:20]2[CH:25]=[CH:24][CH:23]=[CH:22][N:21]=2)[C:10]=1[C:26]([O:28][CH3:42])=[O:27])=[O:8] | 1 |
BrC1=CC(=C2C=NNC2=C1)[N+](=O)[O-]>CO[H].[Fe].C(C)(=O)OCC.C(C)(=O)O>BrC=1C=C(C=2C=NNC2C1)N | 3 |
C(OC([N:8]1[CH2:13][CH2:12][N:11]([C:14]([C:16]2[C:17]([Cl:36])=[C:18]([C:32]([Cl:35])=[CH:33][CH:34]=2)[CH2:19][O:20][C:21]2[CH:22]=[CH:23][CH:24]=[C:25]3[C:30]=2[N:29]=[C:28]([CH3:31])[CH:27]=[CH:26]3)=[O:15])[CH2:10][CH2:9]1)=O)(C)(C)C.[ClH:37]>C(OCC)(=O)C>[ClH:35].[ClH:37].[Cl:36][C:17]1[C:16]([C:14]([N:11]2[CH2:10][CH2:9][NH:8][CH2:13][CH2:12]2)=[O:15])=[CH:34][CH:33]=[C:32]([Cl:35])[C:18]=1[CH2:19][O:20][C:21]1[CH:22]=[CH:23][CH:24]=[C:25]2[C:30]=1[N:29]=[C:28]([CH3:31])[CH:27]=[CH:26]2 | 1 |
COC1C=CC(C[N:8](CC2C=CC(OC)=CC=2)[C:9]2[N:14]=[CH:13][C:12]([C:15]3[C:16]4[CH2:29][CH2:28][N:27]([C:30]5[CH:35]=[CH:34][C:33]([CH2:36][CH2:37]C(O)=O)=[CH:32][CH:31]=5)[C:17]=4[N:18]=[C:19]([N:21]4[CH2:26][CH2:25][O:24][CH2:23][CH2:22]4)[N:20]=3)=[CH:11][N:10]=2)=CC=1.C(O[C:57]([N:59]1[CH2:64][CH2:63][NH:62][CH2:61][CH2:60]1)=[O:58])(C)(C)C>>[NH2:8][C:9]1[N:14]=[CH:13][C:12]([C:15]2[C:16]3[CH2:29][CH2:28][N:27]([C:30]4[CH:35]=[CH:34][C:33]([CH2:36][CH2:37][C:57]([N:59]5[CH2:60][CH2:61][NH:62][CH2:63][CH2:64]5)=[O:58])=[CH:32][CH:31]=4)[C:17]=3[N:18]=[C:19]([N:21]3[CH2:26][CH2:25][O:24][CH2:23][CH2:22]3)[N:20]=2)=[CH:11][N:10]=1 | 1 |
[NH2:1][CH2:2][CH2:3][CH2:4][N:5]1[C:13]2[C:8](=[CH:9][C:10]([Cl:14])=[CH:11][CH:12]=2)[CH:7]=[C:6]1[CH2:15][N:16]1[C:20]2=[CH:21][N:22]=[CH:23][CH:24]=[C:19]2[C:18]2([CH2:26][CH2:25]2)[C:17]1=[O:27].Br[CH2:29][CH2:30][OH:31].C(=O)([O-])[O-].[Cs+].[Cs+]>C(#N)C>[Cl:14][C:10]1[CH:9]=[C:8]2[C:13](=[CH:12][CH:11]=1)[N:5]([CH2:4][CH2:3][CH2:2][NH:1][CH2:29][CH2:30][OH:31])[C:6]([CH2:15][N:16]1[C:20]3=[CH:21][N:22]=[CH:23][CH:24]=[C:19]3[C:18]3([CH2:26][CH2:25]3)[C:17]1=[O:27])=[CH:7]2 | 2 |
C([O-])([O-])=O.[K+].[K+].[F:7][C:8]([F:17])([F:16])[C:9]1[CH:10]=[C:11]([SH:15])[CH:12]=[CH:13][CH:14]=1.CS(O[CH:23]1[CH2:28][CH2:27][O:26][CH:25]([C:29]2[CH:34]=[CH:33][C:32]([F:35])=[C:31]([Cl:36])[CH:30]=2)[CH2:24]1)(=O)=O>CN(C=O)C.O>[Cl:36][C:31]1[CH:30]=[C:29]([CH:25]2[CH2:24][CH:23]([S:15][C:11]3[CH:12]=[CH:13][CH:14]=[C:9]([C:8]([F:7])([F:16])[F:17])[CH:10]=3)[CH2:28][CH2:27][O:26]2)[CH:34]=[CH:33][C:32]=1[F:35] | 2 |
[Br:1][C:2]1[CH:3]=[CH:4][C:5]([OH:10])=[C:6]([CH:9]=1)[CH2:7][OH:8].[C:11]([N:16]1[CH2:21][CH2:20][C:19](=O)[CH2:18][CH2:17]1)([O:13][CH2:14][CH3:15])=[O:12].C1(C)C=CC(S(O)(=O)=O)=CC=1>C(Cl)(Cl)Cl>[C:11]([N:16]1[CH2:21][CH2:20][C:19]2([O:10][C:5]3[CH:4]=[CH:3][C:2]([Br:1])=[CH:9][C:6]=3[CH2:7][O:8]2)[CH2:18][CH2:17]1)([O:13][CH2:14][CH3:15])=[O:12] | 2 |
[F:1][C:2]1[C:3]2[CH:4]=[C:5]3[C:14]4[N:15]=[C:16]([C:19]5[C:20]([N:38]([CH3:43])[S:39]([CH3:42])(=[O:41])=[O:40])=[CH:21][C:22]6[O:26][C:25]([C:27]7[CH:32]=[CH:31][C:30]([F:33])=[CH:29][CH:28]=7)=[C:24]([C:34]([NH2:36])=[O:35])[C:23]=6[CH:37]=5)[CH:17]=[CH:18][C:13]=4[O:12][CH2:11][N:6]3[C:7]=2[CH:8]=[CH:9][CH:10]=1>CN(C(OC)OC)C>[CH3:5][N:6](/[CH:11]=[N:36]\[C:34]([C:24]1[C:23]2[CH:37]=[C:19]([C:16]3[CH:17]=[CH:18][C:13]4[O:12][CH2:11][N:6]5[C:7]6[CH:8]=[CH:9][CH:10]=[C:2]([F:1])[C:3]=6[CH:4]=[C:5]5[C:14]=4[N:15]=3)[C:20]([N:38]([CH3:43])[S:39]([CH3:42])(=[O:41])=[O:40])=[CH:21][C:22]=2[O:26][C:25]=1[C:27]1[CH:28]=[CH:29][C:30]([F:33])=[CH:31][CH:32]=1)=[O:35])[CH3:7] | 1 |
[CH3:1][NH:2][CH2:3][CH:4]=[C:5]1[C:13]2[C:8](=[CH:9][CH:10]=[CH:11][CH:12]=2)[C:7]2([CH2:17][CH2:16][CH2:15][CH2:14]2)[CH2:6]1.FC(F)(F)C(OC(=O)C(F)(F)F)=[O:21].C(=O)([O-])[O-].[Na+].[Na+]>C(OCC)C>[CH3:1][NH:2][CH2:3][CH:4]([C:5]1[C:13]2[C:8](=[CH:9][CH:10]=[CH:11][CH:12]=2)[C:7]2([CH2:17][CH2:16][CH2:15][CH2:14]2)[CH:6]=1)[OH:21] | 1 |
C1(CC1)C=1OC2=C(N1)C=C(C=C2C=2C=C(C(N(C2)C)=O)C)[N+](=O)[O-]>O.C1CCCO1.CO[H].[Fe].C(C)(=O)OCC.[Cl-].[NH4+]>NC=1C=C(C2=C(N=C(O2)C2CC2)C1)C=1C=C(C(N(C1)C)=O)C | 3 |
FC(C=1C=C(C=C(C1)C(F)(F)F)C1(CC(=NO1)C1=CC(=C(C=C1)CNC(C(SCC)SCC)=O)Cl)C(F)(F)F)(F)F>ClCCl.ClC=1C=C(C(=O)OO)C=CC1.S([O-])(O)=O.[Na+]>FC(C=1C=C(C=C(C1)C(F)(F)F)C1(CC(=NO1)C1=CC(=C(C=C1)CNC(C(SCC)S(=O)CC)=O)Cl)C(F)(F)F)(F)F | 3 |
CC1=C(C(=NC(=N1)C1=CC=CC=C1)C1=CC(=CC=C1)[N+](=O)[O-])CN1C(C=2C(C1=O)=CC=CC2)=O>CCO[H].O.NN>NCC=1C(=NC(=NC1C)C1=CC=CC=C1)C1=CC(=CC=C1)[N+](=O)[O-] | 3 |
[F:1][C:2]1[CH:3]=[C:4]([CH:35]=[C:36]([F:38])[CH:37]=1)[C:5]([CH3:34])([CH3:33])[C@H:6]([C:9]([NH:11][C@H:12]([C:17]([N:19]([C@@H:21]([CH:30]([CH3:32])[CH3:31])/[CH:22]=[C:23](\[CH3:29])/[C:24]([O:26]CC)=[O:25])[CH3:20])=[O:18])[C:13]([CH3:16])([CH3:15])[CH3:14])=[O:10])[NH:7][CH3:8].O.[OH-].[Li+]>CO>[F:1][C:2]1[CH:3]=[C:4]([CH:35]=[C:36]([F:38])[CH:37]=1)[C:5]([CH3:34])([CH3:33])[C@H:6]([C:9]([NH:11][C@H:12]([C:17]([N:19]([C@@H:21]([CH:30]([CH3:31])[CH3:32])/[CH:22]=[C:23](/[C:24]([OH:26])=[O:25])\[CH3:29])[CH3:20])=[O:18])[C:13]([CH3:14])([CH3:16])[CH3:15])=[O:10])[NH:7][CH3:8] | 2 |
C(C)(C)(C)C1=CC=C(CNCCC2=CC(=CC=C2)OCC)C=C1.N1C=CC2=CC=CC(=C12)C(=O)O>>C(C)(C)(C)C1=CC=C(CN(C(=O)C=2C=CC=C3C=CNC23)CCC2=CC(=CC=C2)OCC)C=C1 | 5 |
FC=1C(=CC(=NC1)C=1C=NC(=NC1)C(F)(F)F)CN.C(C)(C)(C)OC(=O)N1C(C2CC2C1)C(=O)O>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>FC=1C(=CC(=NC1)C=1C=NC(=NC1)C(F)(F)F)CNC(=O)C1C2CC2CN1C(=O)OC(C)(C)C | 3 |
[OH:1][C:2]1[CH:11]=[C:10]2[C:5]([C:6](=[O:12])[NH:7][CH:8]=[N:9]2)=[C:4]([O:13][CH:14]([CH3:16])[CH3:15])[CH:3]=1.[C:17](OC(=O)C)(=[O:19])[CH3:18]>N1C=CC=CC=1.O>[C:17]([O:1][C:2]1[CH:11]=[C:10]2[C:5]([C:6](=[O:12])[NH:7][CH:8]=[N:9]2)=[C:4]([O:13][CH:14]([CH3:16])[CH3:15])[CH:3]=1)(=[O:19])[CH3:18] | 2 |
C1(=CC=CC=C1)[C@@H](C)N.ClC1=NN=C(C2=CC=CC=C12)C1=C(C=CC2=CC=CC=C12)OS(=O)(=O)C(F)(F)F>>C1(=CC=CC=C1)[C@@H](C)NC1=NN=C(C2=CC=CC=C12)C1=C(C=CC2=CC=CC=C12)OS(=O)(=O)C(F)(F)F | 3 |
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