smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
CN(C1=C(C(=CC=C1)[N+](=O)[O-])S(=O)(=O)N)C>CO[H].[HH].[Pd]>NC1=C(C(=CC=C1)N(C)C)S(=O)(=O)N | 3 |
[CH3:1][O:2][CH2:3][CH2:4][O:5][C:6]1[CH:11]=[CH:10][C:9]([N+:12]([O-])=O)=[CH:8][C:7]=1[N:15]([CH3:23])[C:16](=[O:22])[O:17][C:18]([CH3:21])([CH3:20])[CH3:19].[NH4+].[Cl-]>C1COCC1.CCO.O.[Fe]>[NH2:12][C:9]1[CH:10]=[CH:11][C:6]([O:5][CH2:4][CH2:3][O:2][CH3:1])=[C:7]([N:15]([CH3:23])[C:16](=[O:22])[O:17][C:18]([CH3:21])([CH3:20])[CH3:19])[CH:8]=1 | 2 |
[NH2:1][CH:2]1[N:8]=[C:7]([C:9]2[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=2)[C:6]2[CH:15]=[CH:16][CH:17]=[CH:18][C:5]=2[N:4]([CH2:19][C:20]([C:22]2[CH:27]=[CH:26][CH:25]=[CH:24][C:23]=2[CH3:28])=[O:21])[C:3]1=[O:29].[C:30]([OH:40])(=[O:39])[C@@H:31]([C:33]1[CH:38]=[CH:37][CH:36]=[CH:35][CH:34]=1)[OH:32].ClC1C=C(Cl)C=C(C=O)C=1O>>[NH2:1][C@H:2]1[N:8]=[C:7]([C:9]2[CH:10]=[CH:11][CH:12]=[CH:13][CH:14]=2)[C:6]2[CH:15]=[CH:16][CH:17]=[CH:18][C:5]=2[N:4]([CH2:19][C:20]([C:22]2[CH:27]=[CH:26][CH:25]=[CH:24][C:23]=2[CH3:28])=[O:21])[C:3]1=[O:29].[C:30]([O-:40])(=[O:39])[C@@H:31]([C:33]1[CH:38]=[CH:37][CH:36]=[CH:35][CH:34]=1)[OH:32] | 1 |
[Cl:1][C:2]1[N:3]=[C:4]([CH3:25])[N:5]([C:17]2[CH:18]=[CH:19][C:20](OC)=[N:21][CH:22]=2)[C:6]=1[C:7]1[C:12]([F:13])=[CH:11][C:10]([O:14][CH3:15])=[CH:9][C:8]=1[F:16].O.[OH-].[Na+].O=P(Cl)(Cl)[Cl:31]>>[Cl:31][C:20]1[CH:19]=[CH:18][C:17]([N:5]2[C:6]([C:7]3[C:12]([F:13])=[CH:11][C:10]([O:14][CH3:15])=[CH:9][C:8]=3[F:16])=[C:2]([Cl:1])[N:3]=[C:4]2[CH3:25])=[CH:22][N:21]=1 | 2 |
C1(=CC=CC=C1)S(=O)(=O)CC#N.OC(C(=O)C1=CC(=CC=C1)OCC1=CC=C(C=C1)C(F)(F)F)O>>FC(C1=CC=C(COC=2C=C(C(=O)C3=C(NN=N3)C#N)C=CC2)C=C1)(F)F | 5 |
C(C)OC(\C=C\CCC=C)=O>CC(C)C[AlH]CC(C)C.ClCCl>C(\C=C\CCC=C)O | 3 |
[CH:1](=[C:5]1[CH2:10][CH2:9][CH2:8][NH:7][C:6]1=[O:11])[CH2:2][CH2:3][CH3:4].CO>[Ir].ClCCl>[CH2:1]([CH:5]1[CH2:10][CH2:9][CH2:8][NH:7][C:6]1=[O:11])[CH2:2][CH2:3][CH3:4] | 1 |
C(OC([N:8]1[C:12]2[CH:13]=[CH:14][CH:15]=[CH:16][C:11]=2[N:10]=[C:9]1[CH2:17][N:18]([CH2:27][C:28]1[CH:33]=[CH:32][C:31]([C:34]#[N:35])=[CH:30][C:29]=1[C:36](OC)=[O:37])[CH:19]([C:21]1[CH:26]=[CH:25][CH:24]=[CH:23][N:22]=1)[CH3:20])=O)(C)(C)C.[H-].[H-].[H-].[H-].[Li+].[Al+3].C(C(C(C([O-])=O)O)O)([O-])=O>C1COCC1>[NH2:35][CH2:34][C:31]1[CH:32]=[CH:33][C:28]([CH2:27][N:18]([CH2:17][C:9]2[NH:8][C:12]3[CH:13]=[CH:14][CH:15]=[CH:16][C:11]=3[N:10]=2)[CH:19]([C:21]2[CH:26]=[CH:25][CH:24]=[CH:23][N:22]=2)[CH3:20])=[C:29]([CH2:36][OH:37])[CH:30]=1 | 1 |
C(C)OC=1C=C(C=2N(C1)N=CC2C#N)C=2C=NC(=CC2)F.FC(C(=O)O)(F)F.FC(C(=O)O)(F)F.CN1C(=NC=C1)CC(=O)NC1(CCNCC1)CC1=NC=CC=C1>C(=O)(C(F)(F)F)O.C([O-])([O-])=O.[K+].[K+].CS(=O)C>FC(C(=O)O)(F)F.C(#N)C=1C=NN2C1C(=CC(=C2)OCC)C=2C=CC(=NC2)N2CCC(CC2)(CC2=NC=CC=C2)NC(CC=2N(C=CN2)C)=O | 3 |
C(C)(C)(C)C1=CC=C(C(=O)O)C=C1.CC1(OCC=2C(=C(N=CC2CN)C)O1)C>C1(=CC=NC=C1)N(C)C.ClCCl.CCN=C=NCCCN(C)C>C(C)(C)(C)C1=CC=C(C(=O)NCC2=C3C(=C(N=C2)C)OC(OC3)(C)C)C=C1 | 3 |
Br[CH2:2][CH2:3][CH2:4][N:5]1[C:17]2[CH:16]=[C:15]([C:18]3[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=3)[C:14]3[C:24](=[O:28])[NH:25][C:26](=[O:27])[C:13]=3[C:12]=2[C:11]2[CH:10]=[C:9]([OH:29])[CH:8]=[CH:7][C:6]1=2.[NH:30]1[CH:34]=[CH:33][N:32]=[CH:31]1>>[OH:29][C:9]1[CH:8]=[CH:7][C:6]2[N:5]([CH2:4][CH2:3][CH2:2][N:30]3[CH:34]=[CH:33][N:32]=[CH:31]3)[C:17]3[CH:16]=[C:15]([C:18]4[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=4)[C:14]4[C:24](=[O:28])[NH:25][C:26](=[O:27])[C:13]=4[C:12]=3[C:11]=2[CH:10]=1 | 1 |
[CH2:1]([S:3]([N:6]1[C:14]2[CH:13]=[CH:12][C:11]([N+:15]([O-])=O)=[CH:10][C:9]=2[C:8]2[CH2:18][N:19]([C:22]([O:24][C:25]([CH3:28])([CH3:27])[CH3:26])=[O:23])[CH2:20][CH2:21][C:7]1=2)(=[O:5])=[O:4])[CH3:2]>CO.[Pd]>[NH2:15][C:11]1[CH:12]=[CH:13][C:14]2[N:6]([S:3]([CH2:1][CH3:2])(=[O:5])=[O:4])[C:7]3[CH2:21][CH2:20][N:19]([C:22]([O:24][C:25]([CH3:26])([CH3:28])[CH3:27])=[O:23])[CH2:18][C:8]=3[C:9]=2[CH:10]=1 | 2 |
[CH3:1][C:2]1[N:7]=[C:6]([C:8]2[NH:12][C:11]([CH2:13][C:14]3[CH:15]=[C:16]([CH:20]=[CH:21][CH:22]=3)[C:17]([NH2:19])=[O:18])=[N:10][C:9]=2[C:23]2[CH:24]=[C:25]3[C:30](=[CH:31][CH:32]=2)[N:29]=[CH:28][CH:27]=[CH:26]3)[CH:5]=[CH:4][CH:3]=1.[OH:33][S:34]([OH:37])(=[O:36])=[O:35]>CO>[S:34]([OH:37])([OH:36])(=[O:35])=[O:33].[CH3:1][C:2]1[N:7]=[C:6]([C:8]2[NH:12][C:11]([CH2:13][C:14]3[CH:15]=[C:16]([CH:20]=[CH:21][CH:22]=3)[C:17]([NH2:19])=[O:18])=[N:10][C:9]=2[C:23]2[CH:24]=[C:25]3[C:30](=[CH:31][CH:32]=2)[N:29]=[CH:28][CH:27]=[CH:26]3)[CH:5]=[CH:4][CH:3]=1 | 2 |
C(C)(=O)OC(C)=O.C(C)(=O)OC[C@H]1O[C@@H]([C@H]([C@H]([C@@H]1OC(C)=O)O)O)C1=CC(=CC=C1)Br>C1(=CC=NC=C1)N(C)C.ClCCl.c1ccncc1>C(C)(=O)OC[C@H]1O[C@@H]([C@H]([C@H]([C@@H]1OC(C)=O)OC(C)=O)OC(C)=O)C1=CC(=CC=C1)Br | 3 |
[CH3:1][Si:2]([C:5]#[CH:6])([CH3:4])[CH3:3].Cl[C:8]1[CH:13]=[CH:12][C:11]([Cl:14])=[CH:10][N:9]=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1>[Cu]I.C(NCC)C>[CH3:1][Si:2]([CH3:4])([CH3:3])[C:5]#[C:6][C:8]1[CH:13]=[CH:12][C:11]([Cl:14])=[CH:10][N:9]=1 | 1 |
OCCCCCCCCCCCCCCCC(=O)O>S(O)(O)(=O)=O.C(C)(=O)O.Br>BrCCCCCCCCCCCCCCCC(=O)O | 3 |
C[C@H]1CC[C@@H](NC1)C1=NNC=C1.C(N)(=O)C=1C=C(C=NC1)NC(C(=O)O)=O.C[C@H]1CC[C@@H](N(C1)C(C(=O)NC=1C=C(C=NC1)C(=O)N)=O)C1=NNC=C1>N(C)(C)C=O.CCN(CC)CC.Cl.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>CC1CCC(N(C1)C(C(=O)NC=1C=NC=C(C(=O)N)C1)=O)C1=NNC=C1 | 3 |
C(C1=CC=CC=C1)O.C1=CC2=C(C=C1O)OC(=O)S2>C1CCCO1.c3c(P(c1ccccc1)c2ccccc2)cccc3.N(=NC(=O)OC(C)C)C(=O)OC(C)C>C(C1=CC=CC=C1)OC1=CC2=C(SC(O2)=O)C=C1 | 3 |
[F:1][C:2]1[CH:3]=[C:4]([OH:11])[CH:5]=[CH:6][C:7]=1[N+:8]([O-:10])=[O:9].C(=O)([O-])[O-].[K+].[K+].Br[CH2:19][C:20]([O:22][CH3:23])=[O:21].CN(C)C=O>O>[F:1][C:2]1[CH:3]=[C:4]([O:11][CH2:19][C:20]([O:22][CH3:23])=[O:21])[CH:5]=[CH:6][C:7]=1[N+:8]([O-:10])=[O:9] | 2 |
C(C)C(CN([C@@H](C)C(=O)[O-])[P@@](=O)(OC1=CC=CC=C1)OC[C@H]1O[C@@]([C@@H]([C@@H]1O\C=C\C)O\C=C\C)(C#N)C1=CC=C2C(=NC=NN21)N)CC>O.C1CCCO1.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-].[Zn+2].[Cl-]>NC1=NC=NN2C1=CC=C2[C@]2([C@@H]([C@@H]([C@H](O2)COP(=O)(OC2=CC=CC=C2)N[C@H](C(=O)OCC(CC)CC)C)O)O)C#N | 3 |
[Br:1][C:2]1[CH:3]=[C:4]([SH:8])[CH:5]=[CH:6][CH:7]=1.[CH3:9][O:10][C:11]1[CH:18]=[CH:17][CH:16]=[CH:15][C:12]=1[CH2:13]Br>>[Br:1][C:2]1[CH:3]=[C:4]([S:8][CH2:13][C:12]2[CH:15]=[CH:16][CH:17]=[CH:18][C:11]=2[O:10][CH3:9])[CH:5]=[CH:6][CH:7]=1 | 2 |
BrC1=CC=C2C(=C(C=NC2=C1)[N+](=O)[O-])NCC(C)(O)C>CC#N.[HH].[Pt]>NC=1C=NC2=CC(=CC=C2C1NCC(C)(O)C)Br | 3 |
CS(=O)(=O)Cl.CC(C(CC=1N(C(=CN1)C1=NC(=NC=C1)NC1=CC=CC=C1)CCC)O)(C)C>C1(=CC=CC=C1)C.ClCCl.CCN(CC)CC.C1CCC2=NCCCN2CC1>CC(C=CC=1N(C(=CN1)C1=NC(=NC=C1)NC1=CC=CC=C1)CCC)(C)C | 3 |
Br[C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][CH:10]=1)[N:7]([CH3:11])[C:6](=[O:12])[C:5]12[CH2:14][CH2:13]1.C(=[NH:28])(C1C=CC=CC=1)C1C=CC=CC=1.C(=O)([O-])[O-].[Cs+].[Cs+].C1(P(C2C=CC=CC=2)C2C=CC3C(=CC=CC=3)C=2C2C3C(=CC=CC=3)C=CC=2P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.Cl>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].CCOC(C)=O.C1COCC1.O1CCOCC1>[NH2:28][C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][CH:10]=1)[N:7]([CH3:11])[C:6](=[O:12])[C:5]12[CH2:14][CH2:13]1 | 1 |
[F:1][C:2]([F:30])([F:29])[C:3]([C:25]([F:28])([F:27])[F:26])([C:5]1[N:6]([CH3:24])[C:7]([C:17]2[CH:22]=[CH:21][C:20]([F:23])=[CH:19][CH:18]=2)=[C:8]([C:10]2[CH:15]=[CH:14][C:13]([F:16])=[CH:12][CH:11]=2)[N:9]=1)[NH2:4].[CH:31]1(C(Cl)=O)[CH2:36][CH2:35][CH2:34][CH2:33][CH2:32]1>N1C=CC=CC=1>[CH:31]1([C:24]2[N:6]3[C:7]([C:17]4[CH:22]=[CH:21][C:20]([F:23])=[CH:19][CH:18]=4)=[C:8]([C:10]4[CH:15]=[CH:14][C:13]([F:16])=[CH:12][CH:11]=4)[N:9]=[C:5]3[C:3]([C:2]([F:29])([F:1])[F:30])([C:25]([F:26])([F:27])[F:28])[N:4]=2)[CH2:36][CH2:35][CH2:34][CH2:33][CH2:32]1 | 1 |
[NH2:1][C:2]1[CH:11]=[CH:10][C:5]([C:6]([O:8][CH3:9])=[O:7])=[C:4]([Cl:12])[C:3]=1[C:13]#[C:14][Si:15]([CH3:18])([CH3:17])[CH3:16].N[C:20]1C(CC)=CC(C(OC)=O)=C(Cl)[C:21]=1I.NC1C=CC(C(OC)=O)=C(Cl)C=1I.NC1C(I)=CC(C(OC)=O)=C(Cl)C=1>>[NH2:1][C:2]1[C:11]([CH2:20][CH3:21])=[CH:10][C:5]([C:6]([O:8][CH3:9])=[O:7])=[C:4]([Cl:12])[C:3]=1[C:13]#[C:14][Si:15]([CH3:16])([CH3:18])[CH3:17] | 2 |
Br[CH2:2][C:3]1[S:7][C:6]([Cl:8])=[N:5][CH:4]=1.CN(C)C=O.[CH3:14][N:15]1[C:20](=[N:21][N+:22]([O-:24])=[O:23])[NH:19][CH2:18][O:17][CH2:16]1.C(=O)([O-])[O-].[K+].[K+]>ClCCl.O>[Cl:8][C:6]1[S:7][C:3]([CH2:2][N:19]2[CH2:18][O:17][CH2:16][N:15]([CH3:14])[C:20]2=[N:21][N+:22]([O-:24])=[O:23])=[CH:4][N:5]=1 | 1 |
FC=1C=C(C=O)C=CC1C=1SC2=NC(=CC=C2N1)C1(CC1)C1=CC=CC=C1>>FC=1C=C(C=CC1C=1SC2=NC(=CC=C2N1)C1(CC1)C1=CC=CC=C1)CO | 5 |
BrC1=CC(=C(CBr)C=C1)Cl.F[C@H]1CC[C@H](CC1)N1C(CCC1)=O>>BrC1=CC(=C(CC2C(N(CC2)[C@@H]2CC[C@@H](CC2)F)=O)C=C1)Cl | 5 |
COC(=O)C1=NC=CC2=C1C=CN2>>ClC1=CNC2=C1C(=NC=C2)C(=O)OC | 5 |
C1=NC=CC2=CC=CC=C12.COC=1C=C2C=CNC(C2=CC1)=O>>ClC1=NC=CC2=C3C(=CC=C12)OCC3 | 5 |
NC1=C(C=C(C=N1)C(=O)N=S(=O)(C)CCCCC(=O)OC)C#CC1=CC(=CC=C1)NC(=O)C=1OC=CC1C>>NC1=C(C=C(C=N1)C(=O)N=S(=O)(C)CCCCC(=O)O)C#CC1=CC(=CC=C1)NC(=O)C=1OC=CC1C | 5 |
C(CC)(=O)Cl.FC=1C=C(C=CC1)O>c1ccncc1>FC=1C=C(C=CC1)OC(CC)=O | 3 |
[Br:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]([CH:10]2[CH2:15][CH2:14][NH:13][CH2:12][CH2:11]2)=[O:9])=[CH:4][CH:3]=1.[C:16]1([C:18](=[CH:20][CH:21]=[CH:22][CH:23]=1)O)[OH:17].CC1C=CC(S(O)(=O)=O)=CC=1.O>C1(C)C(C)=CC=CC=1>[Br:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2([CH:10]3[CH2:15][CH2:14][NH:13][CH2:12][CH2:11]3)[O:17][C:16]3[CH:18]=[CH:20][CH:21]=[CH:22][C:23]=3[O:9]2)=[CH:4][CH:3]=1 | 1 |
[CH2:1]([O:3][C:4](=[O:24])[CH2:5][C@@H:6]([NH:13][C:14]1[C:19]([N+:20]([O-:22])=[O:21])=[CH:18][CH:17]=[C:16](Cl)[N:15]=1)[C:7]1[CH:12]=[CH:11][CH:10]=[CH:9][CH:8]=1)[CH3:2].O.CCOC(C)=O.[CH3:32][N:33](C=O)C>[C-]#N.[Zn+2].[C-]#N.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>[CH2:1]([O:3][C:4](=[O:24])[CH2:5][C@@H:6]([NH:13][C:14]1[C:19]([N+:20]([O-:22])=[O:21])=[CH:18][CH:17]=[C:16]([C:32]#[N:33])[N:15]=1)[C:7]1[CH:12]=[CH:11][CH:10]=[CH:9][CH:8]=1)[CH3:2] | 1 |
FC1=CC=C(C(=O)N2C(C=3N(CC2)C(=NC3N3C(CCC3)=O)C3=NC(=NS3)[C@H](C)O)C)C=C1>ClCCl.C(C)N(CC)S(F)(F)F>FC1=CC=C(C(=O)N2C(C=3N(CC2)C(=NC3N3C(CCC3)=O)C3=NC(=NS3)[C@@H](C)F)C)C=C1 | 3 |
[F:1][C:2]1[CH:7]=[CH:6][C:5]([S:8]([NH:11][C:12]2[C:21]([C:22]([O:24]C)=[O:23])=[C:20]3[C:15]([C:16]4[CH:28]=[CH:27][O:26][C:17]=4[CH2:18][O:19]3)=[CH:14][CH:13]=2)(=[O:10])=[O:9])=[C:4](/[CH:29]=[CH:30]\[CH2:31][N:32]2[CH2:37][CH2:36][O:35][CH2:34][CH2:33]2)[CH:3]=1.O.[OH-].[Li+].C(O)=O>O.O1CCOCC1.C(O)C>[F:1][C:2]1[CH:7]=[CH:6][C:5]([S:8]([NH:11][C:12]2[C:21]([C:22]([OH:24])=[O:23])=[C:20]3[C:15]([C:16]4[CH:28]=[CH:27][O:26][C:17]=4[CH2:18][O:19]3)=[CH:14][CH:13]=2)(=[O:9])=[O:10])=[C:4](/[CH:29]=[CH:30]\[CH2:31][N:32]2[CH2:33][CH2:34][O:35][CH2:36][CH2:37]2)[CH:3]=1 | 1 |
CNN.FC(C(=O)OCC)(F)F.CC1CCC(C=2N1C=NC2)=O>>CN1N=C(C2=C1C=1N(C(C2)C)C=NC1)C(F)(F)F | 5 |
[Cl:1][C:2]1[CH:3]=[C:4]([CH:8]=[C:9]([O:11][CH3:12])[N:10]=1)[C:5]([OH:7])=O.Cl.COCN.C(N(CC)CC)C.CN([C:28]([O:32][N:33]1N=NC2C=CC=C[C:34]1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F>C(Cl)Cl>[Cl:1][C:2]1[CH:3]=[C:4]([C:5]([N:33]([O:32][CH3:28])[CH3:34])=[O:7])[CH:8]=[C:9]([O:11][CH3:12])[N:10]=1 | 2 |
[F:1][C:2]([F:24])([F:23])[O:3][C:4]1[CH:9]=[CH:8][C:7]([NH:10][C:11]2[NH:12][C:13]([C:16]3[CH:21]=[CH:20][C:19]([OH:22])=[CH:18][CH:17]=3)=[N:14][N:15]=2)=[CH:6][CH:5]=1.C[Si]([N-][Si](C)(C)C)(C)C.[K+].Cl[C:36]1[CH:41]=[C:40]([NH2:42])[N:39]=[C:38]([NH2:43])[N:37]=1.[C:44]([O-])([O-:46])=[O:45].[K+].[K+]>CN(C=O)C.CO>[F:24][C:2]([F:1])([F:23])[C:44]([OH:46])=[O:45].[F:24][C:2]([F:1])([F:23])[O:3][C:4]1[CH:5]=[CH:6][C:7]([NH:10][C:11]2[NH:12][C:13]([C:16]3[CH:21]=[CH:20][C:19]([O:22][C:36]4[N:37]=[C:38]([NH2:43])[N:39]=[C:40]([NH2:42])[CH:41]=4)=[CH:18][CH:17]=3)=[N:14][N:15]=2)=[CH:8][CH:9]=1 | 1 |
ClC=1C(=NC=C(C1)C(F)(F)F)OC1=C(C=CC(=C1)OCCC1OCCO1)/C=C/C(=O)OCC>C1CCCO1.CCO[H].[OH-].[Na+]>ClC=1C(=NC=C(C1)C(F)(F)F)OC1=C(C=CC(=C1)OCCC1OCCO1)/C=C/C(=O)O | 3 |
[C:1]([C:5]1[CH:29]=[CH:28][C:8]([O:9][CH2:10][C:11]([NH:13][CH2:14][C:15]2[CH:20]=[CH:19][C:18]([NH:21][S:22]([CH3:25])(=[O:24])=[O:23])=[C:17]([O:26]C)[CH:16]=2)=[O:12])=[CH:7][CH:6]=1)([CH3:4])([CH3:3])[CH3:2].C(Cl)Cl.B(Br)(Br)Br>C(OCC)(=O)C>[C:1]([C:5]1[CH:6]=[CH:7][C:8]([O:9][CH2:10][C:11]([NH:13][CH2:14][C:15]2[CH:20]=[CH:19][C:18]([NH:21][S:22]([CH3:25])(=[O:23])=[O:24])=[C:17]([OH:26])[CH:16]=2)=[O:12])=[CH:28][CH:29]=1)([CH3:4])([CH3:2])[CH3:3] | 1 |
[OH:1][C@@H:2]1[C@H:9]([C:10]2[CH:15]=[CH:14][C:13]([O:16][CH3:17])=[CH:12][CH:11]=2)[S:8][C:7]2=[CH:18][CH:19]=[CH:20][C:21]3=[CH:22][CH:23]=[CH:24][C:5](=[C:6]23)[NH:4][C:3]1=[O:25].C(=O)([O-])[O-].[K+].[K+].[CH3:32][N:33]([CH3:37])[CH2:34][CH2:35]Cl>C(OCC)(=O)C>[CH3:32][N:33]([CH3:37])[CH2:34][CH2:35][N:4]1[C:3](=[O:25])[C@H:2]([OH:1])[C@H:9]([C:10]2[CH:15]=[CH:14][C:13]([O:16][CH3:17])=[CH:12][CH:11]=2)[S:8][C:7]2=[CH:18][CH:19]=[CH:20][C:21]3=[CH:22][CH:23]=[CH:24][C:5]1=[C:6]23 | 1 |
[CH:1]1([C:4]2[CH:5]=[C:6]([N+:20]([O-])=O)[CH:7]=[C:8]3[C:12]=2[N:11]([C:13]2[N:18]=[CH:17][C:16]([CH3:19])=[CH:15][N:14]=2)[CH:10]=[CH:9]3)[CH2:3][CH2:2]1>[Pd].C(O)C>[CH:1]1([C:4]2[CH:5]=[C:6]([NH2:20])[CH:7]=[C:8]3[C:12]=2[N:11]([C:13]2[N:14]=[CH:15][C:16]([CH3:19])=[CH:17][N:18]=2)[CH:10]=[CH:9]3)[CH2:3][CH2:2]1 | 2 |
[S:1]1[CH2:5][CH2:4][S:3][C:2]1=[C:6]([C:13]([O:15]C(C)C)=[O:14])[C:7]([O:9][CH:10]([CH3:12])[CH3:11])=[O:8].[OH-].[K+]>C(O)(C)C>[S:1]1[CH2:5][CH2:4][S:3][C:2]1=[C:6]([C:13]([OH:15])=[O:14])[C:7]([O:9][CH:10]([CH3:12])[CH3:11])=[O:8] | 1 |
[SH-].[Na+].COCC1OC2=C(OC1)C=CC(=C2)C(=O)C>Cl[O-].[Na+]>COCC1OC2=C(OC1)C=CC(=C2)C(=O)O | 3 |
ClC1=CC=C(S1)C(=O)NC1=C2C(N(C(C2=CC=C1)=O)CC1=CC(=CC=C1)I)=O>>ClC1=CC=C(S1)C(=O)NC1=C2C(N(C(C2=CC=C1)O)CC1=CC(=CC=C1)I)=O | 5 |
C1(CCCCC1)CCC[C@H](CC(=O)OC(C)(C)C)C1=NC(=NO1)C(=O)N1CC2=CC=CC=C2CC1>ClCCl.C(=O)(C(F)(F)F)O>C1(CCCCC1)CCC[C@H](CC(=O)O)C1=NC(=NO1)C(=O)N1CC2=CC=CC=C2CC1 | 3 |
[F:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[C:8]1([C:16]([F:19])([F:18])[F:17])[CH2:14][CH2:13][O:12][CH2:11][C:10](=S)[NH:9]1.CO.[NH3:22]>>[F:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[C:8]1([C:16]([F:19])([F:18])[F:17])[CH2:14][CH2:13][O:12][CH2:11][C:10]([NH2:22])=[N:9]1 | 1 |
C(OP([CH2:9][C:10]([O:12][CH2:13][CH3:14])=[O:11])(OCC)=O)C.[H-].[Na+].[CH:17]([CH:19]1[CH2:23][CH2:22][N:21](C(OCC2C=CC=CC=2)=O)[CH2:20]1)=O.O>O1CCCC1>[NH:21]1[CH2:22][CH2:23][CH:19]([CH2:17][CH2:9][C:10]([O:12][CH2:13][CH3:14])=[O:11])[CH2:20]1 | 1 |
Cl.N1N=CC2=CC(=CC=C12)NC1=NC(=NC2=CC=C(C=C12)OCCN1C(CCC1)=O)C=1C=C(C=CC1)NC(CCC)=O>>N1N=CC2=CC(=CC=C12)NC1=NC(=NC2=CC=C(C=C12)OCCN1C(CCC1)=O)C=1C=C(C=CC1)NC(CCC)=O | 5 |
O=C1N(CCC2=C(N1)C=CC=C2)C2CCN(CC2)C(=O)O[C@H](CC2=CC(=C(C(=C2)C(F)(F)F)N)Cl)C(=O)O.N1(CCNCC1)C1CCN(CC1)C(=O)OCC1=CC=CC=C1>N(C)(C)C=O.CCN(CC)CC.C([O-])([O-])=O.[K+].[K+].CN(C)C(=[N+](C)C)ON1C2=C(C=CC=C2)N=N1.[B-](F)(F)(F)F>O=C1NC2=C(CCN1C1CCN(CC1)C(=O)O[C@@H](C(N1CCN(CC1)C1CCNCC1)=O)CC1=CC(=C(C(=C1)C(F)(F)F)N)Cl)C=CC=C2 | 3 |
C([O:3][C:4](=[O:33])[CH2:5][O:6][C:7]1[CH:12]=[CH:11][C:10]([S:13][C:14]2[CH:19]=[CH:18][C:17]([CH3:20])=[CH:16][C:15]=2[NH:21][C:22]2[C:31]3[C:26](=[N:27][C:28]([CH3:32])=[CH:29][CH:30]=3)[N:25]=[CH:24][CH:23]=2)=[CH:9][CH:8]=1)C.CCO>[OH-].[Na+]>[CH3:20][C:17]1[CH:18]=[CH:19][C:14]([S:13][C:10]2[CH:11]=[CH:12][C:7]([O:6][CH2:5][C:4]([OH:33])=[O:3])=[CH:8][CH:9]=2)=[C:15]([NH:21][C:22]2[C:31]3[C:26](=[N:27][C:28]([CH3:32])=[CH:29][CH:30]=3)[N:25]=[CH:24][CH:23]=2)[CH:16]=1 | 1 |
C(C)(C)(C)C1=CC=C(C=C1)C=1SC=C(C1O)C(=O)C>C(Cl)(Cl)(Cl)[H].BrN1C(CCC1=O)=O.C(C1=CC=CC=C1)(=O)OOC(C1=CC=CC=C1)=O>BrC=1S(C(=C(C1C)O)C1=CC=C(C=C1)C(C)(C)C)=C=O | 3 |
BrC1=NC(=CC=C1)Br.S1C=C(C=C1)B(O)O>C1CCCO1.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>BrC1=NC(=CC=C1)C1=CSC=C1 | 3 |
ClC1N=NC(Cl)=CC=1.OCC1CCN(C(OC(C)(C)C)=O)CC1.CC(C)([O-])C.[K+].Cl[C:31]1[N:36]=[N:35][C:34]([O:37][CH2:38][CH:39]2[CH2:44][CH2:43][N:42]([C:45]([O:47][C:48]([CH3:51])([CH3:50])[CH3:49])=[O:46])[CH2:41][CH2:40]2)=[CH:33][CH:32]=1.[CH3:52][S:53]([C:56]1[CH:61]=[CH:60][C:59](B(O)O)=[CH:58][CH:57]=1)(=[O:55])=[O:54].C([O-])([O-])=O.[Na+].[Na+]>C1COCC1.C1(C)C=CC=CC=1.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.O>[CH3:52][S:53]([C:56]1[CH:61]=[CH:60][C:59]([C:31]2[N:36]=[N:35][C:34]([O:37][CH2:38][CH:39]3[CH2:44][CH2:43][N:42]([C:45]([O:47][C:48]([CH3:51])([CH3:50])[CH3:49])=[O:46])[CH2:41][CH2:40]3)=[CH:33][CH:32]=2)=[CH:58][CH:57]=1)(=[O:55])=[O:54] | 2 |
Cl.BrC1=CC=CC(=N1)NC(=O)[C@H]1NC[C@@H](C1)F.C(C)(=O)C1=CN(C2=CC(=C(C=C12)C=1C=NC(=NC1)C)O)CC(=O)O>N(C)(C)C=O.CO[H].ClCCl.C(C)(C)N(C(C)C)CC.CN(C)C(=[N+](C)C)ON1C2=C(C=CC=C2)N=N1.[B-](F)(F)(F)F>C(C)(=O)C1=CN(C2=CC(=C(C=C12)C=1C=NC(=NC1)C)O)CC(=O)N1[C@@H](C[C@H](C1)F)C(=O)NC1=NC(=CC=C1)Br | 3 |
C(OC(N1C([C:14]2[NH:15][C:16]([C:19]3[CH:24]=[CH:23][C:22]([Br:25])=[CH:21][CH:20]=3)=[CH:17][N:18]=2)C2CC1CC2)=O)(C)(C)C.[CH2:27]([O:34][C:35]([N:37]1[CH2:43][CH2:42][C:39]2([CH2:41][CH2:40]2)[CH2:38]1)=[O:36])[C:28]1[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=1.C(OC(N1CC2CC1CC2)=O)(C)(C)C>>[CH2:27]([O:34][C:35]([N:37]1[CH:43]([C:14]2[NH:15][C:16]([C:19]3[CH:20]=[CH:21][C:22]([Br:25])=[CH:23][CH:24]=3)=[CH:17][N:18]=2)[CH2:42][C:39]2([CH2:41][CH2:40]2)[CH2:38]1)=[O:36])[C:28]1[CH:29]=[CH:30][CH:31]=[CH:32][CH:33]=1 | 2 |
C(C)(C)(C)OC(=O)\N=C/1\N(C(CC(N1)(CC)CC)=O)[C@@H]([C@H]1[C@@H](C1)C(=O)O)C=1C=NC=CC1.CC1(OC2=CC=CC=C2[C@H](C1)N)C>>CC1(OC2=CC=CC=C2[C@H](C1)NC(=O)[C@H]1[C@@H](C1)[C@H](N1C(NC(CC1=O)(CC)CC)=NC(OC(C)(C)C)=O)C=1C=NC=CC1)C | 5 |
C(C=C)(=O)OC(C)(C)C.ClC1=C(C#N)C=CC(=C1)N(CC1=C(C=CC=C1)C(F)(F)F)[C@@H]1CNCC1>CO[H]>ClC=1C=C(C=CC1C#N)N([C@@H]1CN(CC1)CCC(=O)OC(C)(C)C)CC1=C(C=CC=C1)C(F)(F)F | 3 |
ON1CCCCC1>>C[C@@H]1CC[C@H](CN1)CO.CC1(C2CCC1(C(=O)C2)CS(=O)(=O)O)C | 5 |
C(C)N(CCN)CC.C(=O)C1=CC(=C(OC2=CC(=C(C#N)C=C2)C(F)(F)F)C=C1)OC.S=C1NC(SC1)=O>CC(C)(C)[O-].[K+].CCO[H]>C(C)N(CCNC/1=NC(S\C1=C/C1=CC(=C(OC2=CC(=C(C#N)C=C2)C(F)(F)F)C=C1)OC)=O)CC | 3 |
[CH2:1]([O:8][C:9]1[CH:10]=[C:11]2[C:16](=[CH:17][CH:18]=1)[N:15]=[CH:14][C:13]([N+:19]([O-:21])=[O:20])=[C:12]2Cl)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.C([O:30][C:31]1C=[C:39]2[C:34](C(Cl)=C([N+]([O-])=O)C=[N:38]2)=[CH:33][CH:32]=1)C1C=CC=CC=1.NCCCCCO.O(CCN)C1C=CC=CC=1>>[CH2:1]([O:8][C:9]1[CH:10]=[C:11]2[C:16](=[CH:17][CH:18]=1)[N:15]=[CH:14][C:13]([N+:19]([O-:21])=[O:20])=[C:12]2[NH:38][CH2:39][CH2:34][CH2:33][CH2:32][CH2:31][OH:30])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 1 |
C([O:3][C:4]([CH:6]1[CH2:11][CH2:10][CH2:9][N:8]([CH2:12][CH2:13][CH:14]=[C:15]2[C:28]3[CH:27]=[CH:26][CH:25]=[CH:24][C:23]=3[S:22][C:21]3[C:16]2=[CH:17][CH:18]=[CH:19][CH:20]=3)[CH2:7]1)=[O:5])C.[OH-].[Na+].Cl.[Cl:32]CCl>C(O)C>[ClH:32].[CH:17]1[C:16]2[C:15](=[CH:14][CH2:13][CH2:12][N:8]3[CH2:9][CH2:10][CH2:11][CH:6]([C:4]([OH:5])=[O:3])[CH2:7]3)[C:28]3[C:23](=[CH:24][CH:25]=[CH:26][CH:27]=3)[S:22][C:21]=2[CH:20]=[CH:19][CH:18]=1 | 1 |
Br[C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][CH:11]=1)[C:8](=[O:12])[NH:7][N:6]=[C:5]2[Cl:13].[F:14][C:15]([F:25])([F:24])[C:16]1[CH:23]=[CH:22][CH:21]=[CH:20][C:17]=1[CH2:18][NH2:19].C1C=CC(P(C2C(C3C(P(C4C=CC=CC=4)C4C=CC=CC=4)=CC=C4C=3C=CC=C4)=C3C(C=CC=C3)=CC=2)C2C=CC=CC=2)=CC=1.CC([O-])(C)C.[Na+]>CC(N(C)C)=O.CCOC(C)=O.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]>[Cl:13][C:5]1[C:4]2[C:9](=[CH:10][CH:11]=[C:2]([NH:19][CH2:18][C:17]3[CH:20]=[CH:21][CH:22]=[CH:23][C:16]=3[C:15]([F:14])([F:24])[F:25])[CH:3]=2)[C:8](=[O:12])[NH:7][N:6]=1 | 1 |
[CH3:1][N:2]1[C:6]([C:7](=[O:14])[C:8]2[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=2)=[CH:5][C:4]([C:15]([O:17]C)=[O:16])=[CH:3]1.[OH-].[Na+]>C(O)C>[CH3:1][N:2]1[C:6]([C:7](=[O:14])[C:8]2[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=2)=[CH:5][C:4]([C:15]([OH:17])=[O:16])=[CH:3]1 | 1 |
C(S(O)=O)C(N)C(O)=O.[CH2:10]([N:21]([CH2:26][C:27]([O-:29])=[O:28])[CH2:22][C:23]([O-:25])=[O:24])[CH2:11][N:12]([CH2:17][C:18]([O-:20])=[O:19])[CH2:13][C:14]([O-:16])=[O:15].CCC(COC(C(N(CC[NH+](C)C)C)=O)(C1C=CC=CC=1)C1C=CC=CC=1)CC.[Cl-]>O>[CH2:11]([N:12]([CH2:17][C:18]([OH:20])=[O:19])[CH2:13][C:14]([OH:16])=[O:15])[CH2:10][N:21]([CH2:26][C:27]([OH:29])=[O:28])[CH2:22][C:23]([OH:25])=[O:24] | 1 |
[CH2:1]([O:4][CH2:5][CH2:6][N:7]1[C:11]2[CH:12]=[CH:13][CH:14]=[CH:15][C:10]=2[N:9]=[C:8]1[CH2:16][N:17]1[CH2:22][CH2:21][N:20]([CH3:23])[CH2:19][CH2:18]1)[CH2:2][CH3:3].[C:24]([OH:31])(=[O:30])/[CH:25]=[CH:26]/[C:27]([OH:29])=[O:28]>>[C:24]([OH:31])(=[O:30])/[CH:25]=[CH:26]/[C:27]([OH:29])=[O:28].[C:24]([OH:31])(=[O:30])/[CH:25]=[CH:26]/[C:27]([OH:29])=[O:28].[CH2:1]([O:4][CH2:5][CH2:6][N:7]1[C:11]2[CH:12]=[CH:13][CH:14]=[CH:15][C:10]=2[N:9]=[C:8]1[CH2:16][N:17]1[CH2:22][CH2:21][N:20]([CH3:23])[CH2:19][CH2:18]1)[CH2:2][CH3:3] | 1 |
C1COCCN1.ClC1=CC(=C(C=C1)NC1=C(C=NC2=CC(=C(C=C12)OC)OCCCCl)C#N)F>[I-].[Na+].COCCOC>ClC1=CC(=C(C=C1)NC1=C(C=NC2=CC(=C(C=C12)OC)OCCCN1CCOCC1)C#N)F | 3 |
[Si](CC)(CC)(CC)OS(=O)(=O)C(F)(F)F.C(C)(C)(C)[Si](C1=CC=CC=C1)(C1=CC=CC=C1)OCCCCCCC(OC)OC>ClCCl.N1=C(C=CC=C1)C1=NC=CC=C1.C(O)([O-])=O.[Na+].C[Si](C)(C)C#N.[Sm]>[Si](C1=CC=CC=C1)(C1=CC=CC=C1)(C(C)(C)C)OCCCCCCC(C#N)OC | 4 |
BrCC(=O)OCC.COC=1C=C(C=CC1OC)C=1C(C(N(N1)C1CCN(CC1)C(=O)C1=C(C=CC(=C1)O)C)=O)(C)C>>COC=1C=C(C=CC1OC)C1=NN(C(C1(C)C)=O)C1CCN(CC1)C(=O)C=1C=C(OCC(=O)OCC)C=CC1C | 5 |
C(C)I.O=C1[C@H](N([C@@H]([C@@H](O1)C1=CC=CC=C1)C1=CC=CC=C1)C(=O)OC(C)(C)C)CCCCB1OC(C(O1)(C)C)(C)C>COCCOC.CN(CCN(C)C)C.C[Si](C)(C)[N-][Si](C)(C)C.[K+]>C(C)[C@]1(N([C@@H]([C@@H](OC1=O)C1=CC=CC=C1)C1=CC=CC=C1)C(=O)OC(C)(C)C)CCCCB1OC(C(O1)(C)C)(C)C | 3 |
[N+:1]([C:4]1[CH:9]=[CH:8][C:7]([OH:10])=[CH:6][CH:5]=1)([O-:3])=[O:2].Cl[C:12]([O:14][CH2:15][Cl:16])=[O:13].C(N(CC)C(C)C)(C)C>C1COCC1.C(OCC)(=O)C>[N+:1]([C:4]1[CH:9]=[CH:8][C:7]([O:10][C:12](=[O:13])[O:14][CH2:15][Cl:16])=[CH:6][CH:5]=1)([O-:3])=[O:2] | 2 |
[CH2:1]([O:3][C:4](=[O:13])[CH2:5][CH:6]([CH:11]=O)[C:7]([F:10])([F:9])[F:8])[CH3:2].[F:14][C:15]([F:29])([F:28])[C:16]1[CH:17]=[C:18]([CH:22]2[CH2:27][CH2:26][CH2:25][NH:24][CH2:23]2)[CH:19]=[CH:20][CH:21]=1.C(O)(=O)C.C(O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+]>C(OCC)(=O)C.ClCCl>[CH2:1]([O:3][C:4](=[O:13])[CH2:5][CH:6]([CH2:11][N:24]1[CH2:25][CH2:26][CH2:27][CH:22]([C:18]2[CH:19]=[CH:20][CH:21]=[C:16]([C:15]([F:14])([F:28])[F:29])[CH:17]=2)[CH2:23]1)[C:7]([F:10])([F:9])[F:8])[CH3:2] | 2 |
CC=1OC=CC1.ClC1=C(N=CC(=N1)N)C1=CC=NC=C1>>CC1=CC=C(O1)C1=C(N=CC(=N1)N)C1=CC=CC=C1 | 5 |
Br[C:2]1[CH:3]=[CH:4][C:5]2[C:6]3[C:11]([C:12]4[C:17]=2[C:16]=1[CH:15]=[CH:14][CH:13]=4)=[C:10]([C:18]1[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=1)[C:9]([C:24]1[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=1)=[C:8]([C:30]1[CH:35]=[CH:34][CH:33]=[CH:32][CH:31]=1)[C:7]=3[C:36]1[CH:41]=[CH:40][CH:39]=[CH:38][CH:37]=1.[C:42]1([N:48]2[C:52]3[CH:53]=[CH:54][CH:55]=[CH:56][C:51]=3[N:50]=[C:49]2[C:57]2[CH:62]=[CH:61][C:60](B(O)O)=[CH:59][CH:58]=2)[CH:47]=[CH:46][CH:45]=[CH:44][CH:43]=1.C1(C)C=CC=CC=1.C(=O)([O-])[O-].[K+].[K+]>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.C(O)C>[C:42]1([N:48]2[C:52]3[CH:53]=[CH:54][CH:55]=[CH:56][C:51]=3[N:50]=[C:49]2[C:57]2[CH:62]=[CH:61][C:60]([C:15]3[CH:14]=[CH:13][C:12]4[C:11]5[C:6]([C:5]6[C:17]=4[C:16]=3[CH:2]=[CH:3][CH:4]=6)=[C:7]([C:36]3[CH:41]=[CH:40][CH:39]=[CH:38][CH:37]=3)[C:8]([C:30]3[CH:35]=[CH:34][CH:33]=[CH:32][CH:31]=3)=[C:9]([C:24]3[CH:25]=[CH:26][CH:27]=[CH:28][CH:29]=3)[C:10]=5[C:18]3[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=3)=[CH:59][CH:58]=2)[CH:47]=[CH:46][CH:45]=[CH:44][CH:43]=1 | 2 |
[N:1]([C:4]1[CH:9]=[C:8]([C:10]([O:12]C)=[O:11])[CH:7]=[CH:6][C:5]=1[C:14]([O:16]C)=O)=[C:2]=[S:3].[NH2:18][C:19]1[C:24]([OH:25])=[CH:23][CH:22]=[CH:21][N:20]=1.[OH-].[Na+].Cl>CN(C=O)C>[OH:25][C:24]1[C:19]([N:18]2[C:14](=[O:16])[C:5]3[C:4](=[CH:9][C:8]([C:10]([OH:12])=[O:11])=[CH:7][CH:6]=3)[NH:1][C:2]2=[S:3])=[N:20][CH:21]=[CH:22][CH:23]=1 | 2 |
[Br:1][C:2]1[CH:11]=[CH:10][CH:9]=[C:8]2[C:3]=1[CH2:4][CH2:5][CH2:6][C@@H:7]2O.C1C=CC(P([N:27]=[N+:28]=[N-:29])(C2C=CC=CC=2)=O)=CC=1.C1CCN2C(=NCCC2)CC1>C1COCC1>[N:27]([C@H:7]1[C:8]2[C:3](=[C:2]([Br:1])[CH:11]=[CH:10][CH:9]=2)[CH2:4][CH2:5][CH2:6]1)=[N+:28]=[N-:29] | 2 |
C1(CC1)C(CC(=O)OC)C1=NC=NC(=C1)OCC1=NC(=C(C=C1)C1=C(C=CC(=C1)OC)F)CC(C)(C)C>C1CCCO1.CO[H].[OH-].[Na+]>C1(CC1)C(CC(=O)O)C1=NC=NC(=C1)OCC1=NC(=C(C=C1)C1=C(C=CC(=C1)OC)F)CC(C)(C)C | 3 |
[C:1]([O:5][C:6]([CH2:8][O:9][N:10]1C(=O)C2=CC=CC=C2C1=O)=[O:7])([CH3:4])([CH3:3])[CH3:2].O.NN.N.CCOCC>C(Cl)Cl.CO>[C:1]([O:5][C:6]([CH2:8][O:9][NH2:10])=[O:7])([CH3:4])([CH3:3])[CH3:2] | 1 |
[NH2:1][C:2]1[CH:12]=[CH:11][CH:10]=[C:9]2[C:3]=1[CH:4]=[C:5]([CH2:13][O:14][CH2:15][C:16]1[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=1)[O:6][C:7]2=[O:8].[CH3:22][O-].[Na+]>CO>[CH2:15]([O:14][CH2:13][C:5]1[NH:1][C:2]2[CH:12]=[CH:11][CH:10]=[C:9]([C:7]([O:6][CH3:22])=[O:8])[C:3]=2[CH:4]=1)[C:16]1[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=1 | 1 |
BrCCCN1C(C=2C(C1=O)=CC=CC2)=O.N1CCSCC1>>N1(CCSCC1)CCCN1C(C2=CC=CC=C2C1=O)=O | 5 |
Br[C:2]1[CH:7]=[CH:6][CH:5]=[C:4]([CH3:8])[N:3]=1.[NH2:9][C@H:10]1[C:19]2[C:14](=[CH:15][C:16]([F:20])=[CH:17][CH:18]=2)[N:13]([C:21](=[O:23])[CH3:22])[C@@H:12]([CH:24]2[CH2:26][CH2:25]2)[C@@H:11]1[CH3:27].CN(C1C(C2C(P(C3CCCCC3)C3CCCCC3)=CC=CC=2)=CC=CC=1)C.CC(C)([O-])C.[Na+]>O1CCOCC1.CO.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]>[CH:24]1([C@H:12]2[C@H:11]([CH3:27])[C@@H:10]([NH:9][C:2]3[CH:7]=[CH:6][CH:5]=[C:4]([CH3:8])[N:3]=3)[C:19]3[C:14](=[CH:15][C:16]([F:20])=[CH:17][CH:18]=3)[N:13]2[C:21](=[O:23])[CH3:22])[CH2:26][CH2:25]1 | 2 |
FC(C=1C=C(CN(C=2N=NN(N2)C)CC2=C(C=CC(=C2)C(F)(F)F)Br)C=C(C1)C(F)(F)F)(F)F>>FC(C=1C=C(CN(C=2N=NN(N2)C)CC2=C(C#N)C=CC(=C2)C(F)(F)F)C=C(C1)C(F)(F)F)(F)F | 5 |
Cl.N1=C(C=CC=C1)CCS(=O)(=O)Cl.FC(C1=NC2=C(N1C1=NC(=NC(=N1)N1CCOCC1)N1CCNCC1)C=CC=C2OC)F>ClCCl.C(C)(C)N(C(C)C)CC>FC(C1=NC2=C(N1C1=NC(=NC(=N1)N1CCOCC1)N1CCN(CC1)S(=O)(=O)CCC1=NC=CC=C1)C=CC=C2OC)F | 3 |
NC1=C(C(=O)N)C(=CC(=C1)F)F.CC=1C=C(C=O)C=C(C1OCCN1CCCC1)C>O.C1(=CC=C(C=C1)S(=O)(=O)O)C.CN(C(C)=O)C.S([O-])(O)=O.[Na+]>CC=1C=C(C=C(C1OCCN1CCCC1)C)C1=NC2=CC(=CC(=C2C(N1)=O)F)F | 3 |
C([O:4][CH2:5][C:6]1([CH2:28][O:29]C(=O)C)[O:15]C(OC(=O)C)[C@H:9]([O:16]C(=O)C)[C@@H:8]([O:20]C(=O)C)[C@H:7]1[O:24][C:25](=[O:27])C)(=O)C>C[O-].[Na+]>[OH:29][CH2:28][C:6]([CH2:5][OH:4])([OH:15])[C@@H:7]1[O:24][CH:25]([OH:27])[C@H:9]([OH:16])[C@H:8]1[OH:20] | 1 |
CC1=C(C=CC(=C1)C(=O)N1CCCC1)C1=CC=C(C=C1)C[C@@H](C(NC1=CC=C(C=C1)C=1N=NNN1)=O)NC(=O)[C@@H]1CC[C@H](CC1)CNC(OC(C)(C)C)=O>>NC[C@@H]1CC[C@H](CC1)C(=O)N[C@H](C(NC1=CC=C(C=C1)C=1N=NNN1)=O)CC1=CC=C(C=C1)C1=C(C=C(C=C1)C(=O)N1CCCC1)C | 5 |
[N:1]1[N:2]=[CH:3][N:4]2[C:9]=1[CH:8]=[CH:7][C:6]([C:10]1[CH:11]=[C:12]([NH:16][C:17](=[O:19])[CH3:18])[CH:13]=[CH:14][CH:15]=1)=[N:5]2.[H-].[Na+].[CH2:22](Br)[C:23]#[CH:24]>CN(C)C=O>[CH2:24]([N:16]([C:12]1[CH:13]=[CH:14][CH:15]=[C:10]([C:6]2[CH:7]=[CH:8][C:9]3[N:4]([CH:3]=[N:2][N:1]=3)[N:5]=2)[CH:11]=1)[C:17](=[O:19])[CH3:18])[C:23]#[CH:22] | 1 |
[O:1]1[CH:5]=[N:4][C:3]([C:6]2[CH:7]=[C:8]([CH:29]=[CH:30][CH:31]=2)[CH2:9][CH2:10][O:11][CH2:12][CH2:13][C:14]([N:16]([CH:23]2[CH2:28][CH2:27][CH2:26][CH2:25][CH2:24]2)[CH2:17][CH:18](OC)[O:19]C)=[O:15])=[N:2]1.C1(C)C=CC(S(O)(=O)=O)=CC=1>CN1C(=O)CCC1>[O:1]1[CH:5]=[N:4][C:3]([C:6]2[CH:7]=[C:8]([CH:29]=[CH:30][CH:31]=2)[CH2:9][CH2:10][O:11][CH2:12][CH2:13][C:14]([N:16]([CH:23]2[CH2:28][CH2:27][CH2:26][CH2:25][CH2:24]2)[CH2:17][CH:18]=[O:19])=[O:15])=[N:2]1 | 1 |
[N+](=O)([O-])C1=CC=C(C=C1)O.ClC1=NC=NC(=C1)OC1=CC=C(C=C1)[N+](=O)[O-]>C(C)(C)N(C(C)C)CC.CC(C)O>[N+](=O)([O-])C1=CC=C(OC2=CC(=NC=N2)NC2=CC=C(C=C2)O)C=C1 | 3 |
CN.NC1=C(C(=C(C(=N1)S[C@@H](C)C=1C=C(C=CC1)C(=O)O)C#N)C1=CC=C(C=C1)OCCO)C#N>>NC1=C(C(=C(C(=N1)SC(C)C=1C=C(C=CC1)C(=O)NC)C#N)C1=CC=C(C=C1)OCCO)C#N | 5 |
FC(S(=O)(=O)C1=CC=C(C=C1)N)(F)F.COC=1C(C(=C(C(C1OC)=O)CC1=CC(=C(C(=O)O)C=C1)OC(C)=O)C)=O>>COC=1C(C(=C(C(C1OC)=O)CC1=CC(=C(C(=O)NC2=CC=C(C=C2)S(=O)(=O)C(F)(F)F)C=C1)OC(C)=O)C)=O | 5 |
CC(CC(O)C1=NC=CN=C1)C>ClCCl.CCN(CC)CC.C(C(=O)Cl)(=O)Cl.CS(=O)C>CC(CC(=O)C1=NC=CN=C1)C | 3 |
Cl.[Cl:2][C:3]1[N:4]=[C:5]([C:10]([NH:12][C@H:13]2[CH2:18][CH2:17][NH:16][CH2:15][C@H:14]2[O:19][CH2:20][CH3:21])=[O:11])[NH:6][C:7]=1[CH2:8][CH3:9].Cl[C:23](=[O:28])[C:24]([O:26][CH3:27])=[O:25].C(N(CC)CC)C>ClCCl.CN(C1C=CN=CC=1)C.C(OCC)(=O)C>[Cl:2][C:3]1[N:4]=[C:5]([C:10]([NH:12][C@H:13]2[CH2:18][CH2:17][N:16]([C:23](=[O:28])[C:24]([O:26][CH3:27])=[O:25])[CH2:15][C@H:14]2[O:19][CH2:20][CH3:21])=[O:11])[NH:6][C:7]=1[CH2:8][CH3:9] | 1 |
[F:1][C:2]1[CH:3]=[CH:4][C:5]([CH3:36])=[C:6]([CH:35]=1)[O:7][CH2:8][C:9]1[C:10]([C:23]2[CH:28]=[C:27]([C:29]([O:31]C)=[O:30])[CH:26]=[CH:25][C:24]=2[O:33][CH3:34])=[CH:11][CH:12]=[C:13]2[C:18]=1[N:17]([CH3:19])[C:16](=[O:20])[C:15]([CH3:22])([CH3:21])[NH:14]2.C(OCC)(=O)C.Cl>O1CCCC1.CO.[OH-].[Na+]>[C:29]([C:27]1[CH:26]=[CH:25][C:24]([O:33][CH3:34])=[C:23]([C:10]2[C:9]([CH2:8][O:7][C:6]3[CH:35]=[C:2]([F:1])[CH:3]=[CH:4][C:5]=3[CH3:36])=[C:18]3[C:13]([NH:14][C:15]([CH3:22])([CH3:21])[C:16](=[O:20])[N:17]3[CH3:19])=[CH:12][CH:11]=2)[CH:28]=1)([OH:31])=[O:30] | 1 |
[N-:1]=[N+:2]=[N-:3].[Na+].[Br:5][C:6]1[CH:13]=[CH:12][C:9]([CH2:10]Br)=[CH:8][C:7]=1[F:14]>>[N:1]([CH2:10][C:9]1[CH:12]=[CH:13][C:6]([Br:5])=[C:7]([F:14])[CH:8]=1)=[N+:2]=[N-:3] | 1 |
[CH2:1]([O:3][C:4](=[O:37])[CH2:5][O:6][C:7]1[CH:12]=[CH:11][C:10]([S:13]([N:16]2[CH2:25][CH:24]([CH2:26][CH2:27][C:28]3[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=3)[C:23]3[C:18](=[CH:19][C:20]([O:34]C)=[CH:21][CH:22]=3)[CH2:17]2)(=[O:15])=[O:14])=[CH:9][C:8]=1[CH3:36])[CH3:2].B(Br)(Br)Br>ClCCl.C(OCC)(=O)C.O>[CH2:1]([O:3][C:4](=[O:37])[CH2:5][O:6][C:7]1[CH:12]=[CH:11][C:10]([S:13]([N:16]2[CH2:25][CH:24]([CH2:26][CH2:27][C:28]3[CH:29]=[CH:30][CH:31]=[CH:32][CH:33]=3)[C:23]3[C:18](=[CH:19][C:20]([OH:34])=[CH:21][CH:22]=3)[CH2:17]2)(=[O:15])=[O:14])=[CH:9][C:8]=1[CH3:36])[CH3:2] | 2 |
[CH3:1][O:2][C:3]1[CH:4]=[CH:5][C:6]2[C:10]([C:11]([C:13]3[CH:18]=[CH:17][C:16]([O:19][CH2:20][CH2:21][N:22]4[CH2:27][CH2:26][CH2:25][CH2:24][CH2:23]4)=[CH:15][CH:14]=3)=[O:12])=[C:9]([CH:28]3[CH2:33][CH2:32][C:31](=[O:34])[CH2:30][CH2:29]3)[S:8][C:7]=2[CH:35]=1.C1COCC1.[BH4-].[Na+].O>CO.C(Cl)(Cl)Cl>[CH3:1][O:2][C:3]1[CH:4]=[CH:5][C:6]2[C:10]([C:11]([C:13]3[CH:18]=[CH:17][C:16]([O:19][CH2:20][CH2:21][N:22]4[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27]4)=[CH:15][CH:14]=3)=[O:12])=[C:9]([CH:28]3[CH2:29][CH2:30][CH:31]([OH:34])[CH2:32][CH2:33]3)[S:8][C:7]=2[CH:35]=1 | 1 |
COC1=C(CNCC2=CC=3C(=NC=CC3S2)NC(C2=CC=CC=C2)=O)C=CC(=C1)OC>Cl.C(C)(=O)O>NCC1=CC=2C(=NC=CC2S1)N | 3 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.