Datasets:
Derify
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ReactionSmiles

Dataset card Data Studio Files
xet
 Community
1
smiles
stringlengths
15
6.12k
source_id
int64
1
5
[C:1]([C@@H:3]1[CH2:7][C@@H:6]([O:8][S:9]([CH3:12])(=[O:11])=[O:10])[CH2:5][N:4]1[C:13]([O:15][CH2:16][C:17]1[CH:22]=[CH:21][C:20]([N+:23]([O-:25])=[O:24])=[CH:19][CH:18]=1)=[O:14])#[N:2].N[CH2:27][CH2:28][SH:29]>O1CCCC1>[CH3:12][S:9]([O:8][C@H:6]1[CH2:5][N:4]([C:13]([O:15][CH2:16][C:17]2[CH:22]=[CH:21][C:20]([N+:23]([...
1
[Br-].C[Mg+].C(C1=CC=CC=C1)OC1CC(C1)=O>O.C1CCCO1.CC1OCCC1>C(C1=CC=CC=C1)OC1CC(C1)(O)C
3
O=C1CCCC12CCN(CC2)C(=O)OC(C)(C)C>C1CCCO1.[Na+].[BH4-]>OC1CCCC12CCN(CC2)C(=O)OC(C)(C)C
3
[CH2:1]([O:8][C:9]1[N:10]=[N:11][C:12]([C:23]([C:25]2[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=2)=[CH2:24])=[CH:13][C:14]=1[O:15][CH2:16][C:17]1[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.C(OC1N=NC(Cl)=CC=1OCC1C=CC=CC=1)C1C=CC=CC=1.CC1(C)C(C)(C)OB(C(C2C=CC([C:70]([F:73])([F:72])[F:71])=...
1
N1(C=NC2=C1C=CC=C2)C2=CC=C(S2)C(CCCC)=O>>N1(C=NC2=C1C=CC=C2)C2=CC=C(S2)C(CCCC)=NO
5
C(C1=CC=CC=C1)C1CCN(CC1)C(CC(=O)OCC)C>>C(C1=CC=CC=C1)C1CCN(CC1)C(CCO)C
5
ClC=1C(=C(C=CC1C#N)N[C@@H](C(=O)O)[C@H](C)O)C.[Si](C)(C)(C(C)(C)C)OCC1=CC=C(C(=O)NN)C=C1>C1CCCO1.CCN(CC)CC.Cl.CN(CCCN=C=NCC)C.O.ON1N=NC2=C1C=CC=C2>[Si](C)(C)(C(C)(C)C)OCC1=CCC(C(=O)NN)(C=C1)C([C@@H]([C@H](C)O)NC1=C(C(=C(C=C1)C#N)Cl)C)=O
3
BrCCCC.C(C1=CC=CC=C1)ON(C=O)[C@H](CC)[C@H](C(=O)NCNC(=O)C1=CC=C(O1)C1=CC=C(C(=O)O)C=C1)CCCCC>CC#N.N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>C(C1=CC=CC=C1)ON(C=O)[C@H](CC)[C@H](C(=O)NCNC(=O)C1=CC=C(O1)C1=CC=C(C(=O)OCCCC)C=C1)CCCCC
3
[Si](C)(C)(C(C)(C)C)O[C@H](C(=O)NC1=NC=C(C=C1)C)CO[C@H](COC)C>>O[C@H](C(=O)NC1=NC=C(C=C1)C)CO[C@H](COC)C
5
CC(/C=C/C(=O)N1CCN(CC1)C1=CC=NC2=CC(=CC=C12)C(F)(F)F)CC>C1CCCO1.COC=1C=CC(=CC1)P2(=S)SP(=S)(S2)C=3C=CC(=CC3)OC>CC(/C=C/C(=S)N1CCN(CC1)C1=CC=NC2=CC(=CC=C12)C(F)(F)F)CC
3
F\C(\C(=O)OC)=C/C1=CC(=CC=C1)NC1=NN(C2=NC=CC(=C21)OC2=CC=C(C=C2)OC2=CC=CC=C2)CC2=CC=C(C=C2)OC>C1CCCO1.[OH-].[Li+]>F\C(\C(=O)O)=C/C1=CC(=CC=C1)NC1=NN(C2=NC=CC(=C21)OC2=CC=C(C=C2)OC2=CC=CC=C2)CC2=CC=C(C=C2)OC
3
ClC1=NC(=NC(=C1C1=C(C=C(C=C1F)F)F)Cl)C1=NC=CN=C1.Cl.FC([C@H](C)N)(F)F>>ClC1=C(C(=NC(=N1)C1=NC=CN=C1)N[C@H](C(F)(F)F)C)C1=C(C=C(C=C1F)F)F
5
F[C:2]1[CH:3]=[C:4]([C:11]2[CH:16]=[CH:15][C:14]([NH2:17])=[C:13]([N+:18]([O-:20])=[O:19])[CH:12]=2)[CH:5]=[CH:6][C:7]=1[N+:8]([O-:10])=[O:9].C([O-])([O-])=O.[K+].[K+].[CH3:27][NH2:28]>C(Cl)Cl>[CH3:27][NH:28][C:2]1[CH:3]=[C:4]([C:11]2[CH:16]=[CH:15][C:14]([NH2:17])=[C:13]([N+:18]([O-:20])=[O:19])[CH:12]=2)[CH:5]=[CH:6]...
1
BrC1=CN2C(S1)=C(C=N2)C(=O)NC=2C(=NC=C(C2)NC(CCl)=O)C.C1CCC12CNCC2>N(C)(C)C=O.[I-].[Na+].C(=O)([O-])[O-].[Cs+].[Cs+]>C1CCC12CN(CC2)CC(=O)NC=2C=C(C(=NC2)C)NC(=O)C=2C=NN1C2SC(=C1)Br
3
[Cl-].C[Zn+].BrC1=C2C(=C(N(C2=CC(=C1F)OC(F)F)C1CCC1)C1=CC=C(C=N1)S(=O)(=O)N[C@H](C(F)(F)F)C)C#N>>C(#N)C1=C(N(C2=CC(=C(C(=C12)C)F)OC(F)F)C1CCC1)C1=CC=C(C=N1)S(=O)(=O)N[C@H](C(F)(F)F)C
5
FC(CN1N=C(C=C1)C(=O)OC)(F)F>O.C1CCCO1.CO[H].[OH-].[Li+]>FC(CN1N=C(C=C1)C(=O)O)(F)F
3
[Br:1][C:2]1[CH:3]=[C:4]([NH2:13])[C:5]([NH:8][CH2:9][CH:10]2[CH2:12][CH2:11]2)=[CH:6][CH:7]=1.CCN(C(C)C)C(C)C.[C:23]([CH2:27][C:28](Cl)=[O:29])([CH3:26])([CH3:25])[CH3:24]>C(OCC)(=O)C>[Br:1][C:2]1[CH:7]=[CH:6][C:5]([NH:8][CH2:9][CH:10]2[CH2:12][CH2:11]2)=[C:4]([NH:13][C:28](=[O:29])[CH2:27][C:23]([CH3:26])([CH3:25])[C...
1
[CH2:1]([O:3][C:4]([C:6]1[C:7]([CH3:20])=[C:8]([C:13]([O:15][C:16]([CH3:19])([CH3:18])[CH3:17])=[O:14])[NH:9][C:10]=1[CH:11]=O)=[O:5])[CH3:2].[CH2:21]([O:23][C:24]([CH:26]=P(C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)=[O:25])[CH3:22]>O1CCCC1.CCCCCC.C(OCC)(=O)C>[CH2:1]([O:3][C:4]([C:6]1[C:7]([CH3:20])=[C:8]([C:13]([O:15][C:16...
1
C(C)OC(=O)C=1N=C(N(C(C1OCC1=CC=CC=C1)=O)C)N1CCN(CC1)CCO>[HH].C(C)(=O)OCC.[Pd]>C(C)OC(=O)C=1N=C(N(C(C1O)=O)C)N1CCN(CC1)CCO
3
CS(=O)(=O)Cl.N1=C(C=CC=C1)C(C)O>ClCCl.CCN(CC)CC>N1=C(C=CC=C1)C(C)OS(=O)(=O)C
3
[Cl-].ClC(CCC(=O)OCOC1=C2C(=[O+]C(=C1)N1CCOCC1)C(=CS2)C2=CC1=C(OCCO1)C=C2)=O.N[C@@H](CCCNC(NS(=O)(=O)C1=C(C)C(C)=C2OC(C)(C)CC2=C1C)=N)C(=O)NCC(=O)N[C@@H](CC(OC(C)(C)C)=O)C(=O)N[C@@H](COC(C)(C)C)C(=O)OC(C)(C)C>>[Cl-].C(C)(C)(C)OC(C[C@H](NC(CNC([C@@H](NC(CCC(OCOC1=C2C(=[O+]C(=C1)N1CCOCC1)C(=CS2)C2=CC1=C(OCCO1)C=C2)=O)=O)...
5
C(=O)=O.CC[Mg+].[Br-].C(C)(C)(C)OC(=O)N1C(C=2N(CC1)C(=NC2I)CC)CCC2=CC=C(C=C2)C(F)(F)F>>C(C)(C)(C)OC(=O)N1C(C=2N(CC1)C(=NC2C(=O)O)CC)CCC2=CC=C(C=C2)C(F)(F)F
5
Br[C:2]1[C:11]2[C:6](=[CH:7][C:8]([O:12][CH2:13][CH2:14][S:15][CH3:16])=[CH:9][CH:10]=2)[C:5](=[O:17])[N:4]([CH:18]([CH3:20])[CH3:19])[N:3]=1.CC(C)([O-])C.[Na+].[NH2:27][C:28]1[CH:32]=[C:31]([CH3:33])[NH:30][N:29]=1.C(P(C(C)(C)C)C1C=CC=CC=1C1C=CC=CC=1)(C)(C)C>C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.C1C=CC(/C=C/C(/C=C/C...
1
NC1(CCCC1)CO.ClC=1C=CC2=C(C(OC(=N2)C2=CC=CC3=CC=CC=C23)=O)C1>C(C)(C)N(C(C)C)CC>ClC1=CC(=C(C=C1)NC(=O)C1=CC=CC2=CC=CC=C12)C(=O)NC1(CCCC1)CO
3
[Cl:1][C:2]1[CH:20]=[CH:19][C:5]([CH2:6][O:7][C:8](=S)[NH:9][C:10]([C:12]2[S:13][CH:14]=[CH:15][C:16]=2[Cl:17])=[O:11])=[CH:4][CH:3]=1.Cl.[NH2:22]O>O>[Cl:1][C:2]1[CH:20]=[CH:19][C:5]([CH2:6][O:7][C:8]2[N:9]=[C:10]([C:12]3[S:13][CH:14]=[CH:15][C:16]=3[Cl:17])[O:11][N:22]=2)=[CH:4][CH:3]=1
1
ClC=1C(=CC(=NC1)OC)C>N(C)(C)C=O.BrN1C(CCC1=O)=O>BrC=1C(=NC=C(C1C)Cl)OC
3
O=C1NC(CCC1N1C(C2=CC=CC(=C2C1)C#CCCCNC(OC(C)(C)C)=O)=O)=O>ClCCl.CCO[H].[HH].[Pd]>NCCCCCC1=C2CN(C(C2=CC=C1)=O)C1C(NC(CC1)=O)=O
3
[Br-].[Br:2][CH2:3][P+](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1.C[Si](C)(C)[N-][Si](C)(C)C.[K+].C([O:35][C@H:36]([C@@H:38]1[C@:46]2([CH3:47])[C@H:41]([C:42](=O)[CH2:43][CH2:44][CH2:45]2)[CH2:40][CH2:39]1)[CH3:37])=O.S(=O)(=O)(O)O.C(=O)([O-])[O-].[K+].[K+]>C1(C)C=CC=CC=1.O1CCOCC1.CCOCC.O>[Br:2]/[CH:3]=[C:42]1\[CH2:43][CH2:...
1
COC1=CC=C(CCl)C=C1.[Cl-].O=C(CC1=NN=N[NH2+]1)C>C1CCCO1.C(C)(C)N(C(C)C)CC>COC1=CC=C(CN2N=NN=C2CC(C)=O)C=C1
3
[Br:1][C:2]1[N:7]=[CH:6][C:5]2[N:8]=[C:9]([CH:14]([OH:16])[CH3:15])[N:10]([CH:11]([CH3:13])[CH3:12])[C:4]=2[CH:3]=1.[O:17]1[CH:22]=[CH:21][CH2:20][CH2:19][CH2:18]1.C1(C)C=CC(S(O)(=O)=O)=CC=1>O1CCCC1>[Br:1][C:2]1[N:7]=[CH:6][C:5]2[N:8]=[C:9]([CH:14]([O:16][CH:18]3[CH2:19][CH2:20][CH2:21][CH2:22][O:17]3)[CH3:15])[N:10]([...
2
[CH2:1]([O:3][C:4]([N:6]1[CH2:11][CH2:10][CH:9]([C:12]2[C:20]3[C:15](=[CH:16][CH:17]=[CH:18][CH:19]=3)[NH:14][CH:13]=2)[CH2:8][CH2:7]1)=[O:5])[CH3:2].CS(O[CH2:26][CH2:27][CH:28]1[CH2:33][O:32][CH2:31][CH2:30][O:29]1)(=O)=O>>[CH2:1]([O:3][C:4]([N:6]1[CH2:11][CH2:10][CH:9]([C:12]2[C:20]3[C:15](=[CH:16][CH:17]=[CH:18][CH:...
1
[O:1]1[CH2:6][CH2:5][N:4]([C:7]2[CH:15]=[C:14]3[C:10]([C:11](=[O:25])[C:12](=[O:24])[N:13]3[CH2:16][C:17]([O:19]C(C)(C)C)=[O:18])=[CH:9][CH:8]=2)[CH2:3][CH2:2]1.C(O)(C(F)(F)F)=O>C(Cl)Cl>[O:1]1[CH2:6][CH2:5][N:4]([C:7]2[CH:15]=[C:14]3[C:10]([C:11](=[O:25])[C:12](=[O:24])[N:13]3[CH2:16][C:17]([OH:19])=[O:18])=[CH:9][CH:8...
1
ClP(C1=CC=CC=C1)C1=CC=CC=C1>CCO[H].CN1C=NC=C1>C(C)OP(C1=CC=CC=C1)C1=CC=CC=C1
3
C(C)(=O)OC(C)=O.CC1=CC=C(C=N1)C(=O)OC.FC1=CC=C(C=C1)C1=C(N(N=N1)C)C=O>>COC(C1=CN=C(C=C1)\C=C\C=1N(N=NC1C1=CC=C(C=C1)F)C)=O
5
F[C:2]1[CH:9]=[CH:8][C:5]([CH:6]=[O:7])=[CH:4][CH:3]=1.[Br:10][C:11]1[CH:16]=[CH:15][C:14]([OH:17])=[C:13]([Cl:18])[CH:12]=1.C(=O)([O-])[O-].[K+].[K+]>CS(C)=O>[Br:10][C:11]1[CH:16]=[CH:15][C:14]([O:17][C:2]2[CH:9]=[CH:8][C:5]([CH:6]=[O:7])=[CH:4][CH:3]=2)=[C:13]([Cl:18])[CH:12]=1
1
CC1=C(C(=CC(=C1)C)C)N=C=O.NC=1C(=NC=C(C1)Cl)C(=O)N[C@H](C(=O)OC)C1CCCCC1>c1ccncc1>ClC=1C=C(C(=NC1)C(=O)N[C@H](C(=O)OC)C1CCCCC1)NC(=O)NC1=C(C=C(C=C1C)C)C
3
ClC(=O)OCC1=CC=CC=C1.CC(=O)C.O.FC=1C=C(N)C=C(C1N1CCOCC1)F>C(C)(=O)OCC.C(O)([O-])=O.[Na+]>C(C1=CC=CC=C1)OC(NC1=CC(=C(C(=C1)F)N1CCOCC1)F)=O
3
C(=S)(Cl)Cl.ClC1=C(C=CC=C1)C(C(=O)N)C1=NC=CC(=C1)C(F)(F)F>CCO[H].CC[O-].[Na+]>ClC1=C(C=CC=C1)C1=C2N(C(NC1=O)=S)C=CC(=C2)C(F)(F)F
3
[CH:1]1([C:7]2[CH:8]=[CH:9][C:10]3[O:14][C:13]([C:15]4[CH:22]=[CH:21][C:18]([CH:19]=O)=[CH:17][CH:16]=4)=[CH:12][C:11]=3[CH:23]=2)[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.C(O)(=O)C.[NH:28]1[CH2:31][CH:30]([C:32]([OH:34])=[O:33])[CH2:29]1.C([BH3-])#N.[Na+]>C(Cl)Cl.CO.CO>[CH:1]1([C:7]2[CH:8]=[CH:9][C:10]3[O:14][C:13]([C:15]4...
1
C1(CCCCC1)O.C(C)(C)(C)OC(=O)N1C=CC2=CC(=CC=C12)CCl>C(C)OCC.[O-2].[Ag+].[Ag+]>C(=O)(OC(C)(C)C)N1C=CC2=CC(=CC=C12)COC1CCCCC1
3
C1(CCCC1)[C@@H]1NC(O[C@H]2[C@H](CC/C=C/CC=3C(=NC=4C=CC=CC4C3OCC(=O)OC)O[C@@H]3C[C@H](N(C1=O)C3)C(N[C@]3([C@@H](C3)C=C)C(NS(=O)(=O)C3CC3)=O)=O)CCC2)=O>C1CCCO1.CO[H].[OH-].[Li+]>C1(CCCC1)[C@@H]1NC(O[C@H]2[C@H](CC/C=C/CC=3C(=NC=4C=CC=CC4C3OCC(=O)O)O[C@@H]3C[C@H](N(C1=O)C3)C(N[C@]3([C@@H](C3)C=C)C(NS(=O)(=O)C3CC3)=O)=O)CCC...
3
C(C)(C)(C)OC(=O)N1[C@@H](CC(C1=O)=C)C(=O)OC(C)(C)C>C1CCCO1.[Cl-].[Na+].O([Li])C>C(C)(C)(C)OC(=O)N[C@H](C(=O)OC(C)(C)C)CC(C(=O)OC)=C
3
C(C)(C)(C)OC(=O)N1CCC(CC1)=O.C(C)C1CC(NN1)=O>O.C(Cl)(Cl)(Cl)[H].C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+]>C(C)C1CC(NN1C1CCN(CC1)C(=O)OC(C)(C)C)=O
3
[CH2:1]([C:7]1[C:8]([OH:16])=[CH:9][C:10]([OH:15])=[C:11]([CH:14]=1)[CH:12]=O)[CH2:2][CH2:3][CH2:4][CH2:5][CH3:6].[C:17]([CH2:19][C:20]([NH2:22])=[O:21])#[N:18].N1CCCCC1>C(O)(C)C>[CH2:1]([C:7]1[CH:14]=[C:11]2[C:10](=[CH:9][C:8]=1[OH:16])[O:15][C:17](=[NH:18])[C:19]([C:20]([NH2:22])=[O:21])=[CH:12]2)[CH2:2][CH2:3][CH2:4...
2
C(=O)(C(=O)OCC)NC=1C(=C(C(C#N)=CC1)C#N)[N+](=O)[O-]>N(C)(C)C=O.C1CCCO1.[HH].N.[C].[Pt]>C(#N)C1=CC=C2NC(C(N(C2=C1C#N)O)=O)=O
3
C([O:3][C:4](=[O:33])[CH2:5][O:6][C:7]1[CH:12]=[CH:11][C:10]([N:13]([CH3:31])[CH2:14][C:15]2[S:19][C:18]([C:20]3[CH:25]=[CH:24][C:23]([C:26]([F:29])([F:28])[F:27])=[CH:22][CH:21]=3)=[N:17][C:16]=2[CH3:30])=[CH:9][C:8]=1[CH3:32])C.[Li+].[OH-].OS([O-])(=O)=O.[K+]>C1COCC1.CCO>[CH3:32][C:8]1[CH:9]=[C:10]([N:13]([CH3:31])[C...
1
CC1(OC2=C(C1C1=CC=C(C=C1)C)C(=CC(=C2)C)C)C>>BrC=1C(=CC2=C(C(C(O2)(C)C)C2=CC=C(C=C2)C)C1C)C
5
C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C1(C#N)CC=CCC=1C#N.CCCC[N+](CCCC)(CCCC)CCCC.[N-:47]=[N+:48]=[N-:49].[F:50][C:51]1[N:56]=[CH:55][C:54]([CH:57](O)[CH3:58])=[CH:53][CH:52]=1>ClCCl>[N:47]([CH:57]([C:54]1[CH:53]=[CH:52][C:51]([F:50])=[N:56][CH:55]=1)[CH3:58])=[N+:48]=[N-:49]
1
[CH2:1]([O:3][C:4]([C:6]1([C:28]([OH:30])=[O:29])[CH2:10][CH2:9][CH:8]([NH:11][CH2:12][C:13]2[CH:18]=[CH:17][C:16]([CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH3:27])=[CH:15][CH:14]=2)[CH2:7]1)=[O:5])[CH3:2].C(=O)([O-])[O-].[K+].[K+].[CH3:37]I.[CH3:39][C:40](C)=O>>[CH2:1]([O:3][C:4]([C:6]1([C:28](...
2
CC=1SC=C(N1)CCN.C(=O)C=1CC(CC1)NC1=CC(=C(C#N)C=C1)C(F)(F)F>>CC=1SC=C(N1)CCN1C=NC=C1C=1CC(CC1)NC1=CC(=C(C#N)C=C1)C(F)(F)F
5
Cl[CH2:2][C:3]1[N:7]=[C:6]([NH:8][C:9]([NH2:11])=[NH:10])[S:5][N:4]=1.Cl.[NH2:13][CH2:14][CH2:15][SH:16].[OH-].[Na+].CO[C:21](OC)=[N:22][C:23]#[N:24].[CH3:27][NH2:28]>C(O)C.O>[C:27]([N:24]=[C:23]([NH:22][CH3:21])[NH:13][CH2:14][CH2:15][S:16][CH2:2][C:3]1[N:7]=[C:6]([NH:8][C:9]([NH2:11])=[NH:10])[S:5][N:4]=1)#[N:28]
1
[Cl:1][C:2]1[CH:3]=[C:4]([C:8]2[N:13]=[C:12]([CH2:14][C:15]3[CH:20]=[CH:19][C:18]([CH2:21][C:22]([O:24]C)=O)=[CH:17][CH:16]=3)[CH:11]=[C:10]([C:26]([F:29])([F:28])[F:27])[N:9]=2)[CH:5]=[CH:6][CH:7]=1.[Cl-].[NH4+:31].N>CO>[Cl:1][C:2]1[CH:3]=[C:4]([C:8]2[N:13]=[C:12]([CH2:14][C:15]3[CH:16]=[CH:17][C:18]([CH2:21][C:22]([N...
1
[Br:1][C:2]1[C:3]([C:17]([F:20])([F:19])[F:18])=[CH:4][C:5]([N+:14]([O-])=O)=[C:6]([CH:13]=1)[N:7]([CH:9]([CH3:12])[CH2:10][Cl:11])[CH3:8]>CC(O)=O.[Fe]>[Br:1][C:2]1[CH:13]=[C:6]([N:7]([CH:9]([CH3:12])[CH2:10][Cl:11])[CH3:8])[C:5]([NH2:14])=[CH:4][C:3]=1[C:17]([F:18])([F:19])[F:20]
2
ClC1=NC=CN=C1Cl.N1=C(C=CC2=CC=CC=C12)N1CCC(CC1)O>>ClC=1C(=NC=CN1)OC1CCN(CC1)C1=NC2=CC=CC=C2C=C1
5
Br.FC1=CC=C(C=C1)S(=O)(=O)C=1C(=CC2=C(CCN(CC2)C)C1)O>CCN(CC)CC.CC(=O)C.FC(S(=O)(=O)Cl)(F)F>FC1=CC=C(C=C1)S(=O)(=O)C=1C(=CC2=C(CCN(CC2)C)C1)OS(=O)(=O)C(F)(F)F
3
C12=CC=CC=C2C(C1)C(=O)O.NC1=CC=C(C=C1)C1=CN=C(S1)C1(CCC1)OCC(=O)OC>N(C)(C)C=O.Cl.C(C)N=C=NCCCN(C)C.CN1CCOCC1.O.ON1N=NC2=C1C=CC=C2>C12=CC=CC=C2C(C1)C(=O)NC1=CC=C(C=C1)C1=CN=C(S1)C1(CCC1)OCC(=O)O
3
[NH:1]1[CH2:7][CH2:6][CH2:5][NH:4][CH2:3][CH2:2]1.[F:8][C:9]1[CH:26]=[CH:25][C:12]([O:13][C:14]2[CH:24]=[CH:23][C:17]([C:18](OCC)=[O:19])=[CH:16][N:15]=2)=[CH:11][CH:10]=1.C([Li])CCCCC.[OH-].[Na+]>C1COCC1.CCCCCCC>[N:1]1([C:18]([C:17]2[CH:16]=[N:15][C:14]([O:13][C:12]3[CH:25]=[CH:26][C:9]([F:8])=[CH:10][CH:11]=3)=[CH:24...
1
[Cl:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[C:8]([C:10]1[C:11](Cl)=[N:12][C:13]([S:17][CH3:18])=[N:14][C:15]=1[Cl:16])=O.C(N(CC)C(C)C)(C)C.[NH2:29][NH2:30]>C1COCC1.C(OCC)(=O)C.O>[Cl:16][C:15]1[N:14]=[C:13]([S:17][CH3:18])[N:12]=[C:11]2[NH:29][N:30]=[C:8]([C:3]3[CH:4]=[CH:5][CH:6]=[CH:7][C:2]=3[Cl:1])[C:10]=12
1
CC1=NC(=NC=C1)NC(=S)N.BrC1CCCCC=2C(=CN(N2)CC2=CC=C(C=C2)OC)C1=O>>COC1=CC=C(CN2N=C3C(C4=C(CCCC3)SC(=N4)NC4=NC=CC(=N4)C)=C2)C=C1
5
[C:1]1([C@@:7]23[O:15][C:14]4[CH:16]=[CH:17][CH:18]=[CH:19][C:13]=4[C@@H:8]2[CH2:9][NH:10][CH2:11][CH2:12]3)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.C(N(CC)CC)C.[CH:27]1([C:30](Cl)=[O:31])[CH2:29][CH2:28]1>C(Cl)(Cl)Cl>[CH:27]1([C:30]([N:10]2[CH2:11][CH2:12][C@:7]3([C:1]4[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=4)[O:15][C:14]4[CH:16]...
1
C(C)OCC(=O)Cl.NC=1C(=NC(=C(C1NCC(C)(C)NC(C)=O)C)C)OC1=CC=CC=C1>>C(C)OCC=1N(C2=C(C(=NC(=C2C)C)OC2=CC=CC=C2)N1)CC(C)(C)NC(C)=O
5
C1(CC1)CC(=O)Cl.ClC1=C(N=NC=C1N1CCC(CC1)C1=C(C=C(C=C1)F)F)NN>C1CCCO1.C(C)(=O)OCC.C(O)([O-])=O.[Na+]>ClC1=C(N=NC=C1N1CCC(CC1)C1=C(C=C(C=C1)F)F)NNC(CC1CC1)=O
3
C(C)(C)(C)OC(NC1CCN(CC1)C1=C(C=NC2=CC=C(C=C12)C1=C(C(=CC=C1)C#N)O)C1=CC(=CC(=C1)F)F)=O>ClCCl.C(C)(C)N(C(C)C)CC.C(OCCOC)Cl>C(#N)C=1C(=C(C=CC1)C=1C=C2C(=C(C=NC2=CC1)C1=CC(=CC(=C1)F)F)N1CCC(CC1)NC(OC(C)(C)C)=O)OCOCCOC
3
ClC1=CC=C(C(=O)Cl)C=C1.C(C)(C)(C)C1=CC=C(C(=O)NC=2C(=CC=CC2)N)C=C1>>C(C)(C)(C)C1=CC=C(C(=O)NC=2C(=CC=CC2)NC(C2=CC=C(C=C2)Cl)=O)C=C1
5
[C:1]([NH:5][S:6]([C:9]1[S:10][C:11]([Cl:14])=[CH:12][CH:13]=1)(=[O:8])=[O:7])([CH3:4])([CH3:3])[CH3:2].[Li]CCCC.C1(C)C=CC(S([N:29]=[N+]=[N-])(=O)=O)=CC=1.[BH4-].[Na+]>O1CCCC1.[Br-].C([P+](CCCC)(CCCC)CCCC)CCCCCCCCCCCCCCC.O>[C:1]([NH:5][S:6]([C:9]1[S:10][C:11]([Cl:14])=[CH:12][C:13]=1[NH2:29])(=[O:7])=[O:8])([CH3:4])([C...
1
C[O:2][C:3]([C:5]([CH3:50])([CH3:49])[CH2:6][C@H:7]1[CH2:12][C@H:11]([C:13]2[CH:18]=[CH:17][C:16]([CH2:19][O:20][CH2:21][CH2:22][O:23][CH3:24])=[CH:15][CH:14]=2)[C@@H:10]([O:25][CH2:26][C:27]2[CH:28]=[CH:29][C:30]3[O:35][CH2:34][CH2:33][N:32]([CH2:36][CH2:37][CH2:38][O:39][CH3:40])[C:31]=3[CH:41]=2)[CH2:9][N:8]1[C:42](...
2
[CH2:1]([O:3][C:4]([C:6]1[S:10][C:9](Br)=[N:8][CH:7]=1)=[O:5])[CH3:2].[CH2:12]([Sn](CCCC)(CCCC)C=C)[CH2:13]CC>O1CCOCC1.Cl[Pd](Cl)([P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)[P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1>[CH:12]([C:9]1[S:10][C:6]([C:4]([O:3][CH2:1][CH3:2])=[O:5])=[CH:7][N:8]=1)=[CH2:13]
2
[Cl:1][C:2]1[N:7]=[CH:6][C:5]([CH:8]=[CH2:9])=[CH:4][CH:3]=1.[CH3:10][N:11]1[CH:15]([Si](C)(C)C)[CH2:14][CH2:13][CH:12]1[Si](C)(C)C>C(#N)C>[CH3:10][N:11]1[CH:15]2[CH:8]([C:5]3[CH:4]=[CH:3][C:2]([Cl:1])=[N:7][CH:6]=3)[CH2:9][CH:12]1[CH2:13][CH2:14]2
1
NC=1SC2=C(N1)C=CC=C2>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.CC(C)(C)[O-].[Na+].CC(C)C1=CC(=C(C(=C1)C(C)C)C2=C(C=CC(=C2P(C3CCCCC3)C4CCCCC4)OC)OC)C(C)C>S1C(=NC2=C1C=CC=C2)NC=2C=C1C=CN(C1=CC2)C2=CC=CC(=N2)C(=O)O
3
Br[C:2]1[CH:3]=[CH:4][C:5]([C:8]2[CH2:12][C@@H:11]([CH2:13][N:14]3[CH2:19][CH2:18][S:17](=[O:21])(=[O:20])[CH2:16][CH2:15]3)[O:10][N:9]=2)=[N:6][CH:7]=1.[F:22][C:23]1[CH:24]=[C:25]([N:38]2[CH2:42][C@H:41]([CH2:43][N:44]3[CH:48]=[CH:47][N:46]=[N:45]3)[O:40][C:39]2=[O:49])[CH:26]=[CH:27][C:28]=1B1OC(C)(C)C(C)(C)O1.C(=O)(...
2
[CH3:1][CH:2]1[N:9]([C:10]([O:12][C:13]([CH3:16])([CH3:15])[CH3:14])=[O:11])[CH2:8][CH2:7][C:4]2([O:6][CH2:5]2)[CH2:3]1.[CH:17]1([NH2:20])[CH2:19][CH2:18]1>C(O)C>[CH:17]1([NH:20][CH2:5][C:4]2([OH:6])[CH2:7][CH2:8][N:9]([C:10]([O:12][C:13]([CH3:16])([CH3:15])[CH3:14])=[O:11])[CH:2]([CH3:1])[CH2:3]2)[CH2:19][CH2:18]1
2
Cl.[CH3:2][O:3][C:4](=[O:11])[CH2:5][NH:6][C:7](=[O:10])[CH2:8][NH2:9].C(N1CCCCC1)C.ClC1C([O:27][C:28](=O)[C@H:29]([CH2:41][CH2:42][C:43](=[O:45])[NH2:44])[NH:30][C:31]([O:33][CH2:34][C:35]2[CH:40]=[CH:39][CH:38]=[CH:37][CH:36]=2)=[O:32])=C(Cl)C(Cl)=C(Cl)C=1Cl>CN(C)C=O.ClCCl>[CH3:2][O:3][C:4](=[O:11])[CH2:5][NH:6][C:7]...
1
[C:1]([O:5][C@@H:6]([C:12]1[C:35]([CH3:36])=[CH:34][C:15]2[N:16]=[C:17]([C:19]3[S:20][CH:21]=[C:22]([C:24]4[CH:25]=[C:26]5[C:30](=[CH:31][CH:32]=4)[N:29]([CH3:33])[N:28]=[CH:27]5)[N:23]=3)[S:18][C:14]=2[C:13]=1[C:37]1[CH:42]=[CH:41][C:40]([Cl:43])=[CH:39][CH:38]=1)[C:7]([O:9]CC)=[O:8])([CH3:4])([CH3:3])[CH3:2].[OH-].[N...
1
C1(=CC=CC=C1)CC(=O)Cl.CC=1C=C(C=C(C1)C)C=1N=C(SC1C1=CC=NC=C1)N>>CC=1C=C(C=C(C1)C)C=1N=C(SC1C1=CC=NC=C1)NC(CC1=CC=CC=C1)=O
5
CN(C1CCN(CC1)C(=O)OC(C)(C)C)C1=NC2=CC=CC=C2C=C1>ClCCl.Cl.O1CCOCC1>Cl.CN(C1=NC2=CC=CC=C2C=C1)C1CCNCC1
3
C(OC([N:8]1[CH2:13][CH2:12][CH:11]([NH:14][C:15]2[CH:20]=[CH:19][C:18]([N+:21]([O-:23])=[O:22])=[C:17]([CH3:24])[N:16]=2)[CH2:10][CH2:9]1)=O)(C)(C)C.FC(F)(F)C(O)=O.[ClH:32]>ClCCl.O1CCOCC1>[ClH:32].[CH3:24][C:17]1[N:16]=[C:15]([NH:14][CH:11]2[CH2:10][CH2:9][NH:8][CH2:13][CH2:12]2)[CH:20]=[CH:19][C:18]=1[N+:21]([O-:23])=...
1
C[C@]12CC[C@@]3([C@@H]([C@H]2CC[C@@H]2[C@]4(CC=C(C([C@@H]4CC[C@@]12C)(C)C)C1=CC=C(C(=O)O)C=C1)C)[C@@H](CC3)C(=C)C)NCCN3[C@@H]1CN([C@H](C3)C1)S(=O)(=O)C>C1CCCO1.CO[H].C(=O)(C(F)(F)F)O.O.O.[Pd]>C(C)(C)[C@@H]1CC[C@]2([C@H]1[C@H]1CC[C@@H]3[C@]4(CC=C(C([C@@H]4CC[C@]3([C@@]1(CC2)C)C)(C)C)C2=CC=C(C(=O)O)C=C2)C)NCCN2[C@@H]1CN(...
3
ClCC(=O)Cl.C(C)OC(\C=C(\C)/N)=O>C1CCCO1.c1ccncc1>N/C(=C(/C(=O)OCC)\C(CCl)=O)/C
3
[Cl:1][C:2]1[S:3][C:4]([CH2:7][NH2:8])=[CH:5][N:6]=1.CS[C:11](=[N:14][N+:15]([O-:17])=[O:16])[NH:12][CH3:13]>C(O)C>[Cl:1][C:2]1[S:3][C:4]([CH2:7][NH:8][C:11]([NH:12][CH3:13])=[N:14][N+:15]([O-:17])=[O:16])=[CH:5][N:6]=1
1
C(C)(C)(C)OC(=O)N1C[C@H](OCCC1)C(=O)O.CN1C(OC2=C1C=C(C=C2)C2=CC=C(C[C@H](N)C(=O)N)C=C2)=O>>C(#N)[C@H](CC1=CC=C(C=C1)C=1C=CC2=C(N(C(O2)=O)C)C1)NC(=O)[C@H]1OCCCN(C1)C(=O)OC(C)(C)C
5
NCC1=CC=C(C=C1)S(=O)(=O)N.ClC=1C2=C(N=C(N1)C1=NC=CC=C1)SC=C2C2=NC=CC=C2>CS(=O)C.C(C)(C)N(C(C)C)CC>N1=C(C=CC=C1)C=1N=C(C2=C(N1)SC=C2C2=NC=CC=C2)NCC2=CC=C(C=C2)S(=O)(=O)N
3
C(=O)C1CCC(=CC1C(=O)OCC)C>>OCC1CCC(=CC1C(=O)OCC)C
5
C(C)[Si](CC)(CC)C#CC1=C(C=CC=C1)C(C(=O)N)C>C1CCCO1.[F-].C(CCC)[N+](CCCC)(CCCC)CCCC.C(O)([O-])=O.[Na+]>C(#C)C1=C(C=CC=C1)C(C(=O)N)C
3
CC(C)C[C@@H](C(=O)O)NC(=O)OCC1=CC=CC=C1.C1CCC(CC1)NC2CCCCC2>>C(C1=CC=CC=C1)OC(=O)N[C@@H](CC(C)C)C(=O)O
3
C[Si]([N-:5][Si](C)(C)C)(C)C.[K+].[CH2:11]([O:13][C:14]1[C:19]([C:20]2[NH:21][C:22](=[O:38])[C:23]3[C:24](=[C:26]([CH2:36][CH3:37])[N:27]([CH2:29][C:30]4[N:31]=[N:32][CH:33]=[CH:34][CH:35]=4)[N:28]=3)[N:25]=2)=[CH:18][C:17]([S:39]([N:42]2[CH2:47][CH2:46][N:45]([CH2:48][CH3:49])[CH2:44][CH2:43]2)(=[O:41])=[O:40])=[CH:16...
1
[Cl:1][C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][CH:11]=1)[N:8]=[C:7]([NH:12][NH2:13])[C:6]([O:14][CH3:15])=[N:5]2.[CH:16](OCC)(OCC)OCC>>[Cl:1][C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][CH:11]=1)[N:8]1[CH:16]=[N:13][N:12]=[C:7]1[C:6]([O:14][CH3:15])=[N:5]2
1
[CH3:1][CH2:2][C@@:3]1([OH:27])[C:8](=[O:9])[O:7][CH2:6][C:5]2[C:10]([N:12]3[C:24](=[CH:25][C:4]1=2)[C:23]1[N:22]=[C:21]2[C:16]([CH:17]=[C:18]([OH:26])[CH:19]=[CH:20]2)=[CH:15][C:14]=1[CH2:13]3)=[O:11].[CH:28](=O)[CH2:29]C.S(=O)(=O)(O)O.FC(F)(F)C(O)=O.S(OOS([O-])(=O)=O)([O-])(=O)=O.[K+].[K+]>O.O.O.O.O.O.O.O.S([O-])([O-...
1
[CH2:1]([O:3][C:4]1[CH:5]=[C:6]([C:13](=[O:19])[CH2:14][CH2:15][C:16]([OH:18])=O)[CH:7]=[CH:8][C:9]=1[O:10][CH2:11][CH3:12])[CH3:2].[C:20]1([C:26]2[C:35]3[C:30](=[CH:31][CH:32]=[CH:33][CH:34]=3)[CH:29]=[C:28]([NH2:36])[N:27]=2)[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=1.CCN=C=NCCCN(C)C.C1C=CC2N(O)N=NC=2C=1>C(#N)C>[CH2:1]([...
2
[N+](=O)([O-])C1=C(C=C2C(=C1)OCO2)C>>C1OC=2C=C(N)C(=CC2O1)C
5
[Cl:1][C:2]1[CH:18]=[CH:17][C:5]([O:6][C:7]2[CH:8]=[C:9]([CH:13]([CH3:16])[CH:14]=[O:15])[CH:10]=[CH:11][CH:12]=2)=[C:4]([CH3:19])[CH:3]=1.CC[O:22]C(CCl)=O>>[Cl:1][C:2]1[CH:18]=[CH:17][C:5]([O:6][C:7]2[CH:8]=[C:9]([CH:13]([CH3:16])[C:14]([OH:22])=[O:15])[CH:10]=[CH:11][CH:12]=2)=[C:4]([CH3:19])[CH:3]=1
1
COC(CC1=C(C=C(C=C1)C1=C(C=C(C=C1)C(CC)(C1=CC(=C(C=C1)CCC(C(C)(C)C)O)C)CC)C)Cl)=O>O.CO[H].[OH-].[Na+]>C(C)C(CC)(C1=CC(=C(C=C1)CCC(C(C)(C)C)O)C)C1=CC(=C(C=C1)C1=CC(=C(C=C1)CC(=O)O)Cl)C
3
C(C=C)(=O)OCC.Cl.Cl.C(CCC)C=1N=NC(=CC1C1=CC=C(C=C1)OC1CCCCC1)OC1CCNCC1>ClCCl.C(C)(C)N(C(C)C)CC>Cl.Cl.C(C)OC(CCN1CCC(CC1)OC=1N=NC(=C(C1)C1=CC=C(C=C1)OC1CCCCC1)CCCC)=O
3
BrC1=C(C(=O)OCC)C=CC(=C1O)Br.C(CC)N(C(CCl)=O)CCC>>BrC1=C(C(=O)OCC)C=CC(=C1OCC(=O)N(CCC)CCC)Br
5
[C:1]([O:5][C:6]([C:8]1[CH:9]=[C:10]([CH:39]=[CH:40][CH:41]=1)[CH2:11][N:12]1[C:16](=[O:17])[C:15]2([CH2:22][CH2:21][N:20](C(OCC3C=CC=CC=3)=O)[CH2:19][CH2:18]2)[N:14]([C:33]2[CH:38]=[CH:37][CH:36]=[CH:35][CH:34]=2)[CH2:13]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[H][H]>C(OCC)(=O)C.C(O)C.[Pd]>[O:17]=[C:16]1[C:15]2([CH2:22][CH...
1
C(C)(=O)OCC.ClCCl.FC1=C(C=CC(=C1)F)N1N=CN=C1C1=CC=2CCOC3=C(C2S1)N=C(C=C3)N3CCNCC3>>FC1=C(C=CC(=C1)F)N1N=CN=C1C1=CC=2CCOC3=C(C2S1)N=C(C=C3)N3CCN(CC3)C(C)=O
5
C([C:5]1[N:6]([C:18]([OH:20])=[O:19])[C:7]2[C:12]([CH:13]=1)=[CH:11][C:10]([Br:14])=[C:9]([Cl:15])[C:8]=2[CH:16]=[O:17])(C)(C)C.P([O-])(O)(O)=O.[Na+].[CH3:27][C:28](=[CH:30]C)[CH3:29].Cl([O-])=[O:33].[Na+]>O1CCOCC1.O>[Br:14][C:10]1[CH:11]=[C:12]2[C:7](=[C:8]([C:16]([OH:17])=[O:33])[C:9]=1[Cl:15])[N:6]([C:18]([O:20][C:2...
1
ClC1=NC(=NC=C1)SC.C(C)(C)[Si](OC1=C2C=CNC2=CC=C1)(C(C)C)C(C)C>>CSC1=NC=CC(=N1)N1C=CC2=C(C=CC=C12)O[Si](C(C)C)(C(C)C)C(C)C
5
[N:1]1[CH:6]=[CH:5][CH:4]=[CH:3][C:2]=1[CH2:7][CH2:8][NH2:9].Cl[CH2:11][C:12]1[CH:21]=[CH:20][C:19]([OH:22])=[C:18]2[C:13]=1[CH:14]=[CH:15][CH:16]=[N:17]2>>[N:1]1[CH:6]=[CH:5][CH:4]=[CH:3][C:2]=1[CH2:7][CH2:8][N:9]([CH2:11][C:12]1[CH:21]=[CH:20][C:19]([OH:22])=[C:18]2[C:13]=1[CH:14]=[CH:15][CH:16]=[N:17]2)[CH2:11][C:12...
2
C(C)(=O)OC(C)=O.NC[C@H](OC1=CC(=NC(=N1)SCC1=C(C(=CC=C1)F)F)NS(=O)(=O)N1CCC1)C>ClCCl.c1ccncc1>N1(CCC1)S(=O)(=O)NC1=CC(=NC(=N1)SCC1=C(C(=CC=C1)F)F)O[C@@H](CNC(C)=O)C
3
[Cl:1][C:2]1[C:7]([C:8]([NH:10][CH:11]([CH3:15])[C:12](=[O:14])[CH3:13])=O)=[CH:6][CH:5]=[C:4]([CH3:16])[N:3]=1.CC[N+](S(N=C(OC)[O-])(=O)=O)(CC)CC>C1COCC1>[Cl:1][C:2]1[C:7]([C:8]2[O:14][C:12]([CH3:13])=[C:11]([CH3:15])[N:10]=2)=[CH:6][CH:5]=[C:4]([CH3:16])[N:3]=1
2