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
BrC1=CC(=C(C=C1F)NCCC(=O)O)OC>O.Cl.C(C)(=O)O.[O-]C#N.[Na+]>BrC1=CC(=C(C=C1F)N1C(NC(CC1)=O)=O)OC
3
C(C1=CC=CC=C1)OC1=CC=C(C=C1)N1C(=CC2=CC=CC=C12)CCO[Si](C)(C)C(C)(C)C>>C(C1=CC=CC=C1)OC1=CC=C(C=C1)N1C(=CC2=CC=CC=C12)CCO
5
CC1=CC=C(C=C1)S(=O)(=O)OCC1CC(N(CC1)CC1=CC(=CC(=C1)Cl)Cl)=O.C1(CC1)C=1C(=CC(=C(C(=O)NS(=O)(=O)C)C1)F)O>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>C1(CC1)C=1C(=CC(=C(C(=O)NS(=O)(=O)C)C1)F)OC[C@H]1CC(N(CC1)CC1=CC(=CC(=C1)Cl)Cl)=O
3
C(C)OC(=O)C1=NC=CC(=N1)OC1=CC2=CC=CC(=C2C=C1)C(NC1=CC(=C(C=C1)F)C(F)(F)F)=O>[Na+].[BH4-].C(C)(C)(C)O>FC1=C(C=C(C=C1)NC(=O)C1=CC=CC2=CC(=CC=C12)OC1=NC(=NC=C1)CO)C(F)(F)F
3
[CH3:1][N:2]1[CH:6]([CH3:7])[C:5](=[O:8])[N:4]([CH2:9][C:10]2([C:15]3[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=3)[O:14][CH2:13][CH2:12][O:11]2)[C:3]1=[O:21].Br[CH2:23][CH:24]1[CH2:26][CH2:25]1>>[CH:26]1([CH2:25][C:6]2([CH3:7])[N:2]([CH3:1])[C:3](=[O:21])[N:4]([CH2:9][C:10]3([C:15]4[CH:16]=[CH:17][CH:18]=[CH:19][CH:20]=4)[O...
2
[N+:1]([C:4]1[CH:5]=[C:6]([CH:19]=[CH:20][CH:21]=1)[C:7]([NH:9][C:10]1[CH:15]=[CH:14][CH:13]=[C:12]([N+:16]([O-])=O)[CH:11]=1)=[O:8])([O-])=O.[H][H]>[Pd].O1CCOCC1>[NH2:1][C:4]1[CH:5]=[C:6]([CH:19]=[CH:20][CH:21]=1)[C:7]([NH:9][C:10]1[CH:15]=[CH:14][CH:13]=[C:12]([NH2:16])[CH:11]=1)=[O:8]
1
[Br:1][C:2]1[CH:7]=[CH:6][C:5]([OH:8])=[CH:4][CH:3]=1.N1C=CN=C1.[C:14]([Si:18](Cl)([CH3:20])[CH3:19])([CH3:17])([CH3:16])[CH3:15].O>CN(C)C=O>[Br:1][C:2]1[CH:7]=[CH:6][C:5]([O:8][Si:18]([C:14]([CH3:17])([CH3:16])[CH3:15])([CH3:20])[CH3:19])=[CH:4][CH:3]=1
1
[CH:1]1([C:4]([N:6]2[CH2:11][CH2:10][N:9]([C:12]([C:14]3[CH:19]=[CH:18][C:17]([CH:20]4[C:29](=O)[C:28]5[C:27]([C:31](OC)=[O:32])=[CH:26][CH:25]=[CH:24][C:23]=5[NH:22][CH:21]4[C:35]4[CH:40]=[CH:39][C:38]([CH:41]([O:45][CH2:46][CH3:47])[O:42][CH2:43][CH3:44])=[CH:37][CH:36]=4)=[CH:16][CH:15]=3)=[O:13])[CH2:8][CH2:7]2)=O)...
1
C(C)(C)(C)OC(=O)NC[C@@H]1CC[C@H](CC1)C(=O)N[C@H](C(=O)O)CC1=CC=C(C=C1)C1=C(C=C(C=C1)C(NC(C)C)=O)Cl.FC1=C2C=NNC2=CC(=C1)N>>ClC1=C(C=CC(=C1)C(NC(C)C)=O)C1=CC=C(C=C1)C[C@@H](C(=O)NC1=CC(=C2C=NNC2=C1)F)NC(=O)[C@@H]1CC[C@H](CC1)CNC(OC(C)(C)C)=O
5
IC1=CC=C(C=C1)N.N(=[N+]=[N-])[Si](C)(C)C>CC#N.N(=O)OC(C)(C)C>N(=[N+]=[N-])C1=CC=C(C=C1)I
3
Cl[C:2]1[C:7]([CH3:8])=[CH:6][C:5]([N+:9]([O-:11])=[O:10])=[CH:4][N:3]=1.O.[NH2:13][NH2:14]>CCO>[NH:13]([C:2]1[C:7]([CH3:8])=[CH:6][C:5]([N+:9]([O-:11])=[O:10])=[CH:4][N:3]=1)[NH2:14]
1
ClC=1C=C2C(=C(C(C3(CCN(CC3)C(=O)OC(C)(C)C)C2=CC1)=O)C(=O)NCC(=O)OC)O>Cl.O1CCOCC1>ClC=1C=C2C(=C(C(C3(CCNCC3)C2=CC1)=O)C(=O)NCC(=O)OC)O
3
ClC1=NC=C(C(=N1)NC)OCC(=O)C1=C(C=CC(=C1)OC)Cl>C(=O)(C(F)(F)F)O.[OH-].[Na+].C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+].ClCCCl>ClC=1N=CC=2OCC(N(C2N1)C)C1=C(C=CC(=C1)OC)Cl
3
FC1=CC=C(C=C1)N1C(N(C=C(C1=O)C(=O)Cl)C(C)C)=O.FC=1C=C(N)C=CC1OC1=CC=NC2=CC(=C3C(=C12)OCCO3)OCCCN3CCCCC3>N(C)(C)C=O.O.ClCCl.CCN(CC)CC>FC=1C=C(C=CC1OC1=CC=NC2=CC(=C3C(=C12)OCCO3)OCCCN3CCCCC3)NC(=O)C=3C(N(C(N(C3)C(C)C)=O)C3=CC=C(C=C3)F)=O
3
[NH2:1][CH:2]([C:7]1[CH:12]=[CH:11][C:10]([O:13][CH3:14])=[CH:9][CH:8]=1)[CH2:3][C:4]([OH:6])=[O:5].C(=O)([O-])[O-].[Na+].[Na+].C(N1[C:30](=[O:31])[C:29]2=[CH:32][CH:33]=[CH:34][CH:35]=[C:28]2[C:27]1=[O:36])(OCC)=O>C(#N)C.O>[C:27]1(=[O:36])[N:1]([CH:2]([C:7]2[CH:8]=[CH:9][C:10]([O:13][CH3:14])=[CH:11][CH:12]=2)[CH2:3][...
1
Br[C:2]1[C:3]([F:19])=[CH:4][C:5]2[O:11][CH2:10][CH2:9][N:8]3[CH:12]=[C:13]([C:15]([NH2:17])=[O:16])[N:14]=[C:7]3[C:6]=2[CH:18]=1.[F:20][C:21]1([F:32])[CH2:24][N:23]([C:25](=[O:31])[C:26]([OH:30])([CH3:29])[C:27]#[CH:28])[CH2:22]1>>[F:32][C:21]1([F:20])[CH2:24][N:23]([C:25](=[O:31])[C:26]([OH:30])([CH3:29])[C:27]#[C:28...
1
FC1=C(C=C(C=C1)F)C1=CC2=C(O[C@H](CN2S(=O)(=O)C2=CC(=CC=C2)C(F)(F)F)CCC(=O)O)C=C1>C1CCCO1.B>FC1=C(C=C(C=C1)F)C1=CC2=C(O[C@H](CN2S(=O)(=O)C2=CC(=CC=C2)C(F)(F)F)CCCO)C=C1
3
FC=1C=C(C=CC1CCC(C(=O)NOC1OCCCC1)(S(=O)(=O)C)C)C1=CC=CC=C1>ClCCl.Cl.O1CCOCC1>FC=1C=C(C=CC1CCC(C(=O)NO)(S(=O)(=O)C)C)C1=CC=CC=C1
3
C1CC(=C(F)CNC2CCN([CH2:14][C:15]3[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=3)CC2)CC1.[CH:23]12[CH2:29][CH:26]([CH:27]=[CH:28]1)[CH2:25][CH:24]2[CH2:30][OH:31].[OH-].[K+].[CH2:34](Br)CCCCCCC>O.CS(C)=O>[CH2:30]([O:31][CH2:34][C:18]12[CH2:14][CH:15]([CH2:20][CH2:19]1)[CH:16]=[CH:17]2)[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][C...
1
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([O:8][CH3:9])=[C:4](I)[CH:3]=1.[Cl:11][C:12]1[CH:13]=[C:14](B(O)O)[CH:15]=[CH:16][CH:17]=1.O1CCOCC1.C([O-])([O-])=O.[Na+].[Na+]>C1(C)C=CC=CC=1.C1C=CC(P(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1.C1C=CC(P(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1.C1C=CC(P(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1.C1C=CC(P(C2C=CC=CC=2)C2C=CC=C...
2
ClCC(=O)OCC>C(C)OCC.Cl.[Mg].BrC1=CC=CC=C1>ClCC(O)(C1=CC=CC=C1)C1=CC=CC=C1
3
C(C1=CC=CC=C1)O.C(C)(C)(C)OC(=O)N[C@@H]1C[C@H](CC1)C(=O)O>C1(=CC=CC=C1)C.C1(=CC=NC=C1)N(C)C.CCN(CC)CC.C1=CC=C(C=C1)OP(=O)(N=[N+]=[N-])OC2=CC=CC=C2>[C@H]1(C[C@H](CC1)NC(OC(C)(C)C)=O)NC(OCC1=CC=CC=C1)=O
3
[OH:1][C:2]1[CH:3]=[CH:4][C:5]2[N:9]=[C:8]([CH2:10][O:11][C:12]3[CH:13]=[C:14]([CH:19]=[CH:20][CH:21]=3)[C:15]([O:17][CH3:18])=[O:16])[N:7]([CH3:22])[C:6]=2[CH:23]=1.[Br:24][C:25]1[C:26]([CH3:32])=[N:27][C:28](F)=[CH:29][CH:30]=1.N1C2C(=CC=C3C=2N=CC=C3)C=CC=1.C(=O)([O-])[O-].[Cs+].[Cs+]>[Cu](I)I.CN(C=O)C>[Br:24][C:25]1...
1
[C:1]1([C:7]2[CH:18]=[CH:17][C:10]([CH:11]=[N:12][O:13][CH2:14][CH2:15][OH:16])=[CH:9][CH:8]=2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.O[C:20]1[CH:52]=[CH:51][C:23]([CH2:24][CH:25]2[S:29][C:28](=[O:30])[N:27]([C:31]([C:44]3[CH:49]=[CH:48][CH:47]=[CH:46][CH:45]=3)([C:38]3[CH:43]=[CH:42][CH:41]=[CH:40][CH:39]=3)[C:32]3[CH:37]...
1
C(C1=CC=CC=C1)OC=1C=C(\C=C(\C(=O)OCC)/CC(=O)OC(C)(C)C)C=CC1>ClCCl.C(=O)(C(F)(F)F)O>C(C1=CC=CC=C1)OC=1C=C(C=CC1)/C=C(\CC(=O)O)/C(=O)OCC
3
Cl.CN(C/C=C/C(=O)O)C.N=1C=NN2C1C=C(C=C2)OC2=C(C=C(C=C2)NC2=NC=NC1=CC=3OCC4NCCCN(C3N=C12)C4)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>N=1C=NN2C1C=C(C=C2)OC2=C(C=C(C=C2)NC2=NC=NC1=CC=3OCC4N(CCCN(C3N=C12)C4)C(\C=C\CN(C)C)=O)C
3
NC1=NN2C(N=CC(=C2)F)=C1C(=O)NC1=C2CCN(CC2=CN=C1)C(=O)OC(C)(C)C>CO[H].ClCCl.C(C)(=O)O.C=O.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+].C(O)([O-])=O.[Na+]>NC1=NN2C(N=CC(=C2)F)=C1C(=O)NC1=CN=CC=2CN(CCC12)C
3
BrC=1C=C(C=C(C1)S(=O)(=O)[C@H]1COCC1)N1CCOCC1>O.O1CCOCC1.CS(=O)C.B1(OC(C(O1)(C)C)(C)C)B2OC(C(O2)(C)C)(C)C.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)(=O)[O-].[K+]>O1C[C@@H](CC1)S(=O)(=O)C=1C=C(C=C(C1)B1OC(C(O1)(C)C)(C)C)N1CCOCC1
3
COC(=O)C1=CC2=C(N=C(N=C2)N2CCCCC2)NC1=O>>O=C1C(=CC2=C(N=C(N=C2)N2CCCCC2)N1)C(=O)O
5
C(#N)C1(CCN(CC1)C(=O)OC(C)(C)C)C1=CC=CC2=CC=CC=C12>Cl.C(C)(=O)OCC>Cl.C1(=CC=CC2=CC=CC=C12)C1(CCNCC1)C#N
3
CS(=O)(=O)C1=CC=C(CBr)C=C1.OC1=CC=2C3=C(NC2C=C1)C(CC3)CC(=O)OCC>N(C)(C)C=O.C(=O)([O-])[O-].[Cs+].[Cs+]>CS(=O)(=O)C1=CC=C(COC2=CC=3C4=C(NC3C=C2)C(CC4)CC(=O)OCC)C=C1
3
[C:1]([NH:6][C:7](=[NH:10])OC)([O:3][CH2:4][CH3:5])=[O:2].[CH3:11][C:12]1[N:13]=[CH:14][NH:15][C:16]=1[CH2:17][S:18][CH2:19][CH2:20][NH2:21]>CO>[C:1]([NH:6][C:7]([NH:21][CH2:20][CH2:19][S:18][CH2:17][C:16]1[NH:15][CH:14]=[N:13][C:12]=1[CH3:11])=[NH:10])([O:3][CH2:4][CH3:5])=[O:2]
1
FC/C=C/C(=O)O.ClC=1C=CC=C2C=CC=C(C12)N1CC=2N=C(N=C(C2CC1)N1C[C@@H](NCC1)CC#N)OC[C@@H]1N(CCC1)C>CCN(CC)CC.Cl.C(C)(=O)OCC.CCCP1(=O)OP(=O)(OP(=O)(O1)CCC)CCC>ClC=1C=CC=C2C=CC=C(C12)N1CC=2N=C(N=C(C2CC1)N1C[C@@H](N(CC1)C(\C=C\CF)=O)CC#N)OC[C@@H]1N(CCC1)C
3
C(OC([N:8]1[CH2:17][CH2:16][C:15]2[N:14]=[CH:13][C:12]([NH:18][C:19](=[O:40])[C:20]3[CH:25]=[CH:24][CH:23]=[C:22]([CH2:26][NH:27][C:28](=[O:39])[C:29]4[CH:34]=[CH:33][C:32]([O:35][CH3:36])=[C:31]([O:37][CH3:38])[CH:30]=4)[CH:21]=3)=[CH:11][C:10]=2[CH2:9]1)=O)(C)(C)C.Cl.O1CCOCC1>C(Cl)Cl>[CH3:38][O:37][C:31]1[CH:30]=[C:2...
1
C([N:5]1[C:14]2[C:9](=[CH:10][CH:11]=[C:12]([N:15]3[CH2:19][CH2:18][CH2:17][CH2:16]3)[N:13]=2)[C:8](=[O:20])[C:7]([C:21]([O:23]CC)=[O:22])=[CH:6]1)(C)(C)C>C(O)C.Cl.C(OCC)C>[O:20]=[C:8]1[C:9]2[C:14](=[N:13][C:12]([N:15]3[CH2:16][CH2:17][CH2:18][CH2:19]3)=[CH:11][CH:10]=2)[NH:5][CH:6]=[C:7]1[C:21]([OH:23])=[O:22]
1
[CH2:1]([C:3]1[C:4]([OH:26])=[C:5]([C:23]([OH:25])=[O:24])[C:6](=[O:22])[NH:7][C:8]=1[C:9]1[CH:14]=[CH:13][C:12]([CH:15]2[CH2:20][CH2:19][N:18]([CH3:21])[CH2:17][CH2:16]2)=[CH:11][CH:10]=1)[CH3:2].C=O.[C:29](O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+]>ClCCl.CO>[CH2:1]([C:3]1[C:4]([OH:26])=[C:5]([C:23]([O:25][CH3:29])=[O:24])[C:...
2
Cl[C:2]1[C:3]2[CH:10]=[CH:9][S:8][C:4]=2[N:5]=[CH:6][N:7]=1.[NH2:11][OH:12].Cl.C(N(C(C)C)CC)(C)C>C(O)C>[N:5]1[C:4]2[S:8][CH:9]=[CH:10][C:3]=2[C:2]([NH:11][OH:12])=[N:7][CH:6]=1
1
[CH2:1]([O:3][C:4]([C:6]1[C:7](Br)=[N:8][O:9][C:10]=1[CH3:11])=[O:5])[CH3:2].[NH:13]1[CH2:17][CH2:16][CH2:15][CH2:14]1.CCN(P1(N(C)CCCN1C)=NC(C)(C)C)CC>>[CH2:1]([O:3][C:4]([C:6]1[C:7]([N:13]2[CH2:17][CH2:16][CH2:15][CH2:14]2)=[N:8][O:9][C:10]=1[CH3:11])=[O:5])[CH3:2]
1
C(C1=CC=CC=C1)N(C(CCC=O)=O)C>C1CCCO1.[H-].[Na+].CCOC(=O)CP(=O)(OCC)OCC>C(C1=CC=CC=C1)N(C(CC/C=C/C(=O)OCC)=O)C
3
N1CCC2(CC1)NC(C1=CC=CC=C12)=O.ClC1=CC=C2C(=CNC2=C1)C(=O)O>>ClC1=CC=C2C(=CNC2=C1)C(=O)N1CCC2(CC1)NC(C1=CC=CC=C12)=O
5
[N+](=O)([O-])C1=C(C2=C(S1)C=CC=C2)NC2=CC=CC=C2>O.[Fe].C(C)(=O)O>C1(=CC=CC=C1)NC=1C2=C(SC1N)C=CC=C2
3
[Cl:1][C:2]1[CH:3]=[C:4]([NH:11][S:12]([C:15]2[CH:20]=[CH:19][C:18]([Cl:21])=[C:17]([C:22]([F:25])([F:24])[F:23])[CH:16]=2)(=[O:14])=[O:13])[C:5]([C:8](O)=[O:9])=[N:6][CH:7]=1.[CH3:26][NH:27][C:28]1[CH:29]=[C:30]([CH3:34])[CH:31]=[CH:32][CH:33]=1.F[P-](F)(F)(F)(F)F.N1(O[P+](N(C)C)(N(C)C)N(C)C)C2C=CC=CC=2N=N1.CCN(C(C)C)...
1
[C:1]([N:8]1[CH2:13][CH2:12][CH:11]([NH2:14])[CH2:10][CH2:9]1)([O:3][C:4]([CH3:7])([CH3:6])[CH3:5])=[O:2].C([N:17]([CH2:20][CH3:21])CC)C.[C:22](Cl)(Cl)=[O:23].[C:26]1(C)[CH:31]=CC=[CH:28][CH:27]=1.Cl[C:34]1[N:39]=[C:38](Cl)[C:37]([CH2:41][NH:42][C:43]2[CH:48]=[CH:47][C:46]([O:49][CH3:50])=[CH:45][CH:44]=2)=[CH:36][N:35...
1
C(C)(C)(C)OC(CN1C(=NC=C1)/C=C/C(=O)OCC1=CC=CC=C1)=O>>C(C)(C)(C)OC(CN1C(=NC=C1)CCC(=O)O)=O
5
N1C2C=NC=NC=2C=N1.COC1C=CC(C[N:17]2[C:21]3=[N:22][C:23]([NH:26][C:27]4[CH:32]=[CH:31][C:30]([N:33]([S:38]([CH3:41])(=[O:40])=[O:39])[S:34]([CH3:37])(=[O:36])=[O:35])=[CH:29][CH:28]=4)=[N:24][CH:25]=[C:20]3[CH:19]=[N:18]2)=CC=1>C(O)(C(F)(F)F)=O>[NH:17]1[C:21]2=[N:22][C:23]([NH:26][C:27]3[CH:32]=[CH:31][C:30]([N:33]([S:3...
2
BrC1=C2C(=NC=C1)NC(=C2)C(=O)OCC.COC1=CC=C(CN(C2=NC=C(C=C2C2=NC=C(C=C2)C(=O)N(C)C)B2OC(C(O2)(C)C)(C)C)CC2=CC=C(C=C2)OC)C=C1>O.O1CCOCC1.C([O-])([O-])=O.[Na+].[Na+].[Cl-].[NH4+].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]>COC1=CC=C(CN(C2=NC=C(C=C2C2=NC=C(C=C2)C(N(C)C)=O)...
3
[CH3:1][O:2][C:3]([C@@H:5]1[CH2:9][C@@H:8]([S:10]([C:13]2[CH:18]=[CH:17][CH:16]=[CH:15][C:14]=2[C:19]([F:22])([F:21])[F:20])(=[O:12])=[O:11])[CH2:7][N:6]1[C:23](=O)[CH2:24][C:25](=O)[CH3:26])=[O:4].COC1C=CC(P2(SP(C3C=CC(OC)=CC=3)(=S)S2)=S)=CC=1.[CH2:51]([O:58][C:59]([N:61]1[CH2:66][CH2:65][CH:64]([NH:67][NH2:68])[CH2:6...
1
C(#N)CC(=O)N1[C@H](CCC1)CN1C(=NC2=C1C=CC(=C2)CO)NC(=O)C2=CC=NO2>O.ClCCl.C(C)(=O)OI1(OC(C2=C1C=CC=C2)=O)(OC(C)=O)OC(C)=O>C(#N)CC(=O)N1[C@H](CCC1)CN1C(=NC2=C1C=CC(=C2)C=O)NC(=O)C2=CC=NO2
3
[F:1][C:2]1[C:7]2[N:8]=[N:9][S:10][C:6]=2[CH:5]=[C:4]([C:11](O)=[O:12])[C:3]=1[NH:14][C:15]1[CH:20]=[CH:19][C:18]([I:21])=[CH:17][C:16]=1[F:22].C1C=CC2N(O)N=NC=2C=1.CCN=C=NCCCN(C)C.[CH3:44][C:45]1([CH3:53])[O:49][CH:48]([CH2:50][O:51][NH2:52])[CH2:47][O:46]1.[NH4+].[Cl-]>>[CH3:44][C:45]1([CH3:53])[O:49][CH:48]([CH2:50]...
2
[CH:1]1([NH2:7])[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.N=C=N.[NH2:11][C:12]1[CH:20]=[CH:19][CH:18]=[CH:17][C:13]=1[C:14]([OH:16])=O.C(N(C(C)C)CC)(C)C.C1C=CC2N(O)N=NC=2C=1>C1COCC1>[NH2:11][C:12]1[CH:20]=[CH:19][CH:18]=[CH:17][C:13]=1[C:14]([NH:7][CH:1]1[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1)=[O:16]
1
NC(C(=O)OC(C)(C)C)(CC1=CC=C(C=C1)OC)C>ClCCl.B(Br)(Br)Br>C[C@](CC=1C=CC(=CC1)O)(C(=O)O)N
3
C([O:5][C:6](=[O:57])[CH2:7][CH2:8][S:9][CH2:10][CH:11]([O:35][C:36](=[O:56])[NH:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH2:49][CH2:50][CH2:51][CH2:52][CH2:53][CH2:54][CH3:55])[CH2:12][O:13][C:14](=[O:34])[NH:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22...
1
N1C=CC=C1.C(C)(=O)O[C@H]1[C@@H]2CCC([C@]2(CC[C@@H]1[C@@]1([C@H](C[C@H](CC1)O[Si](C1=CC=CC=C1)(C1=CC=CC=C1)C(C)(C)C)CCOS(=O)(=O)C)C)C)=C>>N1(C=CC=C1)CC[C@@H]1[C@@](CC[C@@H](C1)O)(C)[C@@H]1[C@H]([C@@H]2CCC([C@]2(CC1)C)=C)O
5
C(C(CO)(CO)N)O.ClC1=C(C(=O)Cl)C=C(C=C1)F.NC=1C=C(C=CC1)C1=NN2C(C=CC=C2)=C1C1=NC(=NC=C1)NC1=CC(=CC=C1)F>>ClC1=C(C(=O)NC2=CC(=CC=C2)C2=NN3C(C=CC=C3)=C2C2=NC(=NC=C2)NC2=CC(=CC=C2)F)C=C(C=C1)F
5
CC1=C(NC23C=CN=CC3=CC=CN21)C(=O)OC>CC(C)C[AlH]CC(C)C.ClCCl>CC1=C(N=C2C=3C=CC=NC3C=CN21)CO
3
ClC1=NC(=NC=N1)C=1C=CC(=C(C#N)C1)OC1CCOCC1.FC(CN1CCN(CC1)C1=C(C=C(N)C=C1)OC)F>CC#N.C(C)(C)N(C(C)C)CC>FC(CN1CCN(CC1)C1=C(C=C(C=C1)NC1=NC(=NC=N1)C=1C=CC(=C(C#N)C1)OC1CCOCC1)OC)F
3
[Cl:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[C:8]1[CH:18]=[C:11]2[N:12]=[C:13]([CH3:17])[CH:14]=[C:15](O)[N:10]2[N:9]=1.C(N(CC)CC)C.O=P(Cl)(Cl)[Cl:28].C(=O)(O)[O-].[Na+]>C1(C)C=CC=CC=1.C(OCC)(=O)C>[Cl:28][C:15]1[N:10]2[N:9]=[C:8]([C:3]3[CH:4]=[CH:5][CH:6]=[CH:7][C:2]=3[Cl:1])[CH:18]=[C:11]2[N:12]=[C:13]([CH3:17])[CH:1...
1
C1(CC1)C1=CC(=NN1)NC1=NC(=C(C(=O)O)C=C1F)N[C@@H](C)C1=CC=C(C=C1)F>CCN(CC)CC.CC(C)(C)O.C1=CC=C(C=C1)OP(=O)(N=[N+]=[N-])OC2=CC=CC=C2>C1(CC1)C1=CC(=NN1)NC1=C(C=C2C(=N1)N(C(N2)=O)[C@@H](C)C2=CC=C(C=C2)F)F
3
OC1=CC(N(C(=N1)CCC(F)(F)F)C1=CC=C(C=C1)OCC(F)(F)F)=O>>FC(S(=O)(=O)OC=1N=C(N(C(C1)=O)C1=CC=C(C=C1)OCC(F)(F)F)CCC(F)(F)F)(F)F
5
C(C)(=O)OC(C(C(=O)OC)=C)C1=NC=CC=C1Cl>O>ClC1=CC=CN2C=C(C=C12)C(=O)OC
3
N1N=CC2=C1CN(C2)C(=O)OC(C)(C)C.COCCN1N=C(C=C1)S(=O)(=O)Cl>O.C1CCCO1.[H-].[Na+].C(C)(=O)O>COCCN1N=C(C=C1)S(=O)(=O)N1N=C2C(=C1)CN(C2)C(=O)OC(C)(C)C
3
[C:1]([O:5][C:6](=[O:15])[C:7]1[CH:12]=[CH:11][C:10]([CH:13]=O)=[CH:9][CH:8]=1)([CH3:4])([CH3:3])[CH3:2].Cl.[O:17]([NH2:19])[CH3:18]>>[C:1]([O:5][C:6](=[O:15])[C:7]1[CH:12]=[CH:11][C:10]([CH:13]=[N:19][O:17][CH3:18])=[CH:9][CH:8]=1)([CH3:4])([CH3:3])[CH3:2]
1
[N:1]1[CH:6]=[CH:5][CH:4]=[C:3](O)[CH:2]=1.CN([CH:11]=[O:12])C.C[C:14](C)([O-:16])C.[K+].COCCl>C1COCC1>[CH3:14][O:16][CH2:11][O:12][C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][N:1]=1
1
IC1=NNC2=CC(=CC=C12)C=O.COC=1C=C2CC(N(C2=CC1)C)=O>N(C)(C)C=O.CO[H].[H-].[Na+].N1CCCCC1.[I-].C[S+](=O)(C)C>IC1=NNC2=CC(=CC=C12)[C@@H]1C[C@@]12C(N(C1=CC=C(C=C21)OC)C)=O
3
CC(CN1C(N(C2=NC(=CC=C21)C2=CC1CCC(C2)N1C(=O)OC(C)(C)C)C)=O)(C)C>O(O[H])[H].C1CCCO1.C(C)(=O)OCC.B.C1CCOC1>CC(CN1C(N(C2=NC(=CC=C21)C2C(C1CCC(C2)N1C(=O)OC(C)(C)C)O)C)=O)(C)C
3
C1(=CC=CC=C1)B(O)O.BrC=1C=C2C=CN(C2=CC1)CC1=CC=C(C=C1)C>O.ClCCl.C([O-])([O-])=O.[K+].[K+].O1CCOCC1>CC1=CC=C(CN2C=CC3=CC(=CC=C23)C2=CC=CC=C2)C=C1
3
BrC1=CC(=CC=2OC(CN(C21)C(C)C)C)C#N>>BrC1=CC(=CC=2OC(CN(C21)C(C)C)C)C(=O)O
5
[C:1]([O-:10])(=[O:9])[CH:2]([CH2:6][CH2:7][CH3:8])[CH2:3][CH2:4][CH3:5].[Mg+2:11].[OH:12][C@H:13]([CH2:19][C:20](=[O:22])[O-:21])[CH2:14][N+:15]([CH3:18])([CH3:17])[CH3:16].C([O-])(=O)C(CCC)CCC.O[C@H](CC(=O)[O-])C[N+](C)(C)C.C(O)(=O)C(CCC)CCC>O>[OH:12][C@H:13]([CH2:19][C:20](=[O:21])[O-:22])[CH2:14][N+:15]([CH3:18])([...
1
C(OC(=O)[NH:7][CH2:8][CH2:9][NH:10][C:11]([C:13]1[CH:14]=[N:15][C:16]([CH:19]([S:28]([C:31]2[CH:36]=[CH:35][C:34]([Cl:37])=[CH:33][CH:32]=2)(=[O:30])=[O:29])[C:20]2[CH:25]=[C:24]([F:26])[CH:23]=[CH:22][C:21]=2[F:27])=[CH:17][CH:18]=1)=[O:12])(C)(C)C.Cl>C(O)C>[NH2:7][CH2:8][CH2:9][NH:10][C:11](=[O:12])[C:13]1[CH:18]=[CH...
1
ClC1=C(C(=C(C(=C1[N+](=O)[O-])O)OCCCC1=CC=CC=C1)OCCCl)C(C)=O>CCO[H].O.O.[Sn](Cl)Cl>C(C)(=O)C=1C(=C(C2=C(N=C(O2)C)C1Cl)OCCCC1=CC=CC=C1)OCCCl
3
C1(CCCCC1)[Mg]Br.O1CCCC1.O1C(OCC1)C1=CC(=C(S1)CC)C=O>>C1(CCCCC1)C(O)C1=C(SC(=C1)C1OCCO1)CC
5
[F:1][C:2]1[C:3]([NH:21][CH:22]2[CH2:27][CH2:26][CH2:25][NH:24][CH2:23]2)=[N:4][C:5]([NH:8][C:9]2[CH:10]=[N:11][C:12]([N:15]3[CH2:20][CH2:19][O:18][CH2:17][CH2:16]3)=[CH:13][CH:14]=2)=[N:6][CH:7]=1.[C:28]([CH2:30][C:31](O)=[O:32])#[N:29].CCN(C(C)C)C(C)C.CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F>C(Cl)Cl>[F:...
2
C([N:11]([CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH3:37])[C:12]1[CH:20]=[CH:19][C:15]([C:16](Cl)=[O:17])=[CH:14][C:13]=1[F:21])(OCC1C=CC=CC=1)=O.C(N(CC)CC)C.[C:45]([OH:53])(=[O:52])[CH:46]([CH2:48][C:49]([OH:51])=[O:50])[OH:47].[H][H]>O1CC...
1
CC=1C=C(C=CC1)NN=C(C(=O)OCC)C=O>>ON=CC(C(=O)OCC)=NNC1=CC(=CC=C1)C
5
BrC=1C=CC(=NC1)F.ClC1=C(C(=CC=C1F)OC)C(C=O)C>>BrC=1C=C(C(=NC1)F)C(C(C)C1=C(C(=CC=C1OC)F)Cl)O
5
Cl.[F:2][C:3]1[CH:4]=[C:5]2[C:10](=[C:11]([N:13]3[CH2:18][CH2:17][N:16]([CH3:19])[CH2:15][CH2:14]3)[CH:12]=1)[N:9]=[C:8]([C:20]([OH:22])=O)[CH:7]=[C:6]2[O:23][CH3:24].[O:25]1[CH2:30][CH2:29][N:28]([C:31]2[CH:37]=[CH:36][C:34]([NH2:35])=[CH:33][CH:32]=2)[CH2:27][CH2:26]1.CN(C(ON1N=NC2C=CC=CC1=2)=[N+](C)C)C.[B-](F)(F)(F)...
1
[C:1]([C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][N:5]=1)(=[O:3])[CH3:2]>CCOC(C)=O>[CH3:2][C@H:1]([C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][N:5]=1)[OH:3]
2
C(OC([N:8]1[CH2:13][CH2:12][N:11]([C:14]2[CH:19]=[CH:18][C:17]([N:20]3[CH2:24][C@@H:23]([CH:25](C)[NH:26][C:27]([SH:29])=[S:28])[O:22][C:21]3=[O:31])=[CH:16][C:15]=2[F:32])[CH2:10][CH2:9]1)=O)(C)(C)C.[CH3:33]O>>[CH3:33][S:29][C:27](=[S:28])[NH:26][CH2:25][C@@H:23]1[O:22][C:21](=[O:31])[N:20]([C:17]2[CH:18]=[CH:19][C:14...
1
ClCC(=O)OC(CCl)=O.IC1=CC=C(C=C1)C1=NN=NN1>>ClCC=1OC(=NN1)C1=CC=C(C=C1)I
3
C(C)(C)(C)OC(NC1CN(CC1)C1=NC=NC2=CC(=C(C=C12)OC)OC)=O>C(=O)(C(F)(F)F)O>FC(C(=O)O)(F)F.COC=1C=C2C(=NC=NC2=CC1OC)N1CC(CC1)N
3
BrC1C(C=2NC3=CC=C(C=C3C2CC1)Br)=O>N(C)(C)C=O.C([O-])([O-])=O.[Li+].[Li+].[Br-].[Li+]>BrC=1C=C2C=3C=CC=C(C3NC2=CC1)O
3
CC1(C)C(C)(C)OB([C:9]2[CH:10]=[C:11]3[C:16](=[CH:17][CH:18]=2)[C:15](=[O:19])[NH:14][CH2:13][CH2:12]3)O1.I[C:22]1[CH:23]=[C:24]2[C:29](=[CH:30][CH:31]=1)[C:28](=[O:32])[N:27]([CH2:33][CH2:34][N:35]1[CH2:39][CH2:38][CH2:37][C@H:36]1[CH3:40])[CH2:26][CH2:25]2.C(=O)([O-])[O-].[Na+].[Na+]>C1C=CC([P]([Pd]([P](C2C=CC=CC=2)(C...
2
Cl.C(C1=CC=CC=C1)(=N)N.ClC1=CC=CC=2N1N=C(C2C(C#C)=O)C2=CC=C(C=C2)F>CCO[H].CC[O-].[Na+]>ClC1=CC=CC=2N1N=C(C2C2=NC(=NC=C2)C2=CC=CC=C2)C2=CC=C(C=C2)F
3
C(C1=CC=CC=C1)OC(=O)NCCC(=O)NC[C@@H]1CN(CCC1)C(=O)OC(C)(C)C>>C(C1=CC=CC=C1)OC(=O)NCCC(=O)NC[C@@H]1CNCCC1
5
[CH3:1][C:2](=[O:7])[CH2:3][C:4](=[O:6])[CH3:5].[H-].[Na+].Cl.[CH3:11][Si:12]([CH3:38])([CH3:37])[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][NH:27][C:28]1[CH:36]=[CH:35][C:31]([C:32](Cl)=[O:33])=[CH:30][CH:29]=1>COCCOC>[CH3:11][Si:12]([CH3:38])([CH3:3...
1
N#N.[CH3:3][C:4]([CH3:44])([CH2:40][CH2:41][CH:42]=[CH2:43])[CH2:5][O:6][C:7]([NH:9][C@H:10]([C:15]([N:17]1[CH2:25][C@H:24]([NH:26][C:27]([C:29]2[N:30]([CH3:39])[C:31]3[C:36]([CH:37]=2)=[C:35](Br)[CH:34]=[CH:33][CH:32]=3)=[O:28])[CH2:23][C@H:18]1[C:19]([O:21][CH3:22])=[O:20])=[O:16])[C:11]([CH3:14])([CH3:13])[CH3:12])=...
2
[F:1][CH:2]([F:13])[O:3][C:4]1[CH:9]=[CH:8][C:7]([N+:10]([O-])=O)=[CH:6][N:5]=1.C(O)(=O)C>CO.[Pd]>[F:13][CH:2]([F:1])[O:3][C:4]1[N:5]=[CH:6][C:7]([NH2:10])=[CH:8][CH:9]=1
1
[Cl:1][C:2]1[N:7]=[C:6]2[S:8]C(N)=[N:10][C:5]2=[CH:4][CH:3]=1.S([O-])([O-])=O.[Na+].[Na+].C(O)=O>[OH-].[Na+]>[NH2:10][C:5]1[C:6]([SH:8])=[N:7][C:2]([Cl:1])=[CH:3][CH:4]=1
1
O1[C@H](COCC1)CO>ClCCl.c1ccncc1.C1(=CC=C(C=C1)S(=O)(=O)Cl)C>CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]1OCCOC1
3
Cl.O1CCOCC1.[O:8]=[C:9]1[C@@H:15]([NH:16][C:17](=[O:32])[C@H:18]([OH:31])[C@@H:19]([NH:23]C(OC(C)(C)C)=O)[CH:20]([CH3:22])[CH3:21])[CH2:14][CH2:13][CH2:12][CH2:11][NH:10]1>>[NH2:23][C@@H:19]([CH:20]([CH3:22])[CH3:21])[C@@H:18]([OH:31])[C:17]([NH:16][C@H:15]1[CH2:14][CH2:13][CH2:12][CH2:11][NH:10][C:9]1=[O:8])=[O:32]
2
[F:1][C:2]([F:12])([F:11])[C:3]1[NH:8][C:7](=S)[NH:6][C:5](=[O:10])[CH:4]=1.ClCC(O)=[O:16].[S]>O>[F:1][C:2]([F:12])([F:11])[C:3]1[NH:8][C:7](=[O:16])[NH:6][C:5](=[O:10])[CH:4]=1
1
[C:1]([O:5][C:6]([NH:8][CH2:9][C:10]1[CH:24]=[CH:23][C:22]([Cl:25])=[CH:21][C:11]=1[CH2:12][NH:13][C:14](=[O:20])[C@@H:15]1[CH2:19][CH2:18][CH2:17][NH:16]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[CH:26]1[CH:31]=[C:30]2N=NN(O)[C:29]2=[CH:28][CH:27]=1.[OH2:36].[CH2:37](Cl)[CH2:38]Cl.C(N(C(C)C)CC)(C)C.CN(C=[O:54])C>>[CH:30]1([C...
1
[C:1]([C:3]1[CH:27]=[CH:26][C:6]([O:7][CH2:8][CH2:9][N:10]([CH2:15][CH2:16][N:17]2[CH2:24][CH:23]3[O:25][CH:19]([CH2:20][NH:21][CH2:22]3)[CH2:18]2)[S:11]([CH3:14])(=[O:13])=[O:12])=[CH:5][CH:4]=1)#[N:2].Br[CH2:29][C:30]1[CH:35]=[CH:34][C:33]([F:36])=[CH:32][CH:31]=1.C([O-])([O-])=O.[K+].[K+]>>[C:1]([C:3]1[CH:4]=[CH:5][...
1
[F:1][C:2]1[CH:3]=[C:4]([CH:15]=[C:16]([F:23])[C:17]=1[NH:18][S:19]([CH3:22])(=[O:21])=[O:20])[CH2:5][NH:6][C:7]([C:9]1[S:10][C:11](Br)=[CH:12][CH:13]=1)=[O:8].[F:24][C:25]([F:36])([F:35])[C:26]1[CH:31]=[CH:30][C:29](B(O)O)=[CH:28][CH:27]=1.C([O-])([O-])=O.[Na+].[Na+].CCO>C1(C)C=CC=CC=1.CCOC(C)=O.C1C=CC([P]([Pd]([P](C2...
1
NC=1N=C(C2=C(N1)N(C=C2C)[C@H]2[C@H](OC)[C@H](O)[C@H](O2)CO)Cl>C[O-].[Na+]>COC=1C2=C(N=CN1)NC=C2C
3
C(C)(C)(C)OC(=O)NC=1SC2=C(C1C#N)C(=CC=C2F)C2=C(C=C1C(=NC(=NC1=C2F)OC[C@H]2N(CCC2)C)N2C1COCC2CN(C1)C(=O)OC(C)(C)C)Cl>ClCCl.C(=O)(C(F)(F)F)O>NC=1SC2=C(C1C#N)C(=CC=C2F)C2=C(C=C1C(=NC(=NC1=C2F)OC[C@H]2N(CCC2)C)N2C1COCC2CNC1)Cl
3
[Cl:1][C:2]1[N:10]=[C:9]2[C:5]([N:6]=[C:7]([CH2:12][CH:13]=O)[N:8]2[CH3:11])=[C:4]([N:15]2[CH2:20][CH2:19][O:18][CH2:17][CH2:16]2)[N:3]=1.[NH:21]1[CH2:26][CH2:25][CH:24]([C:27]([OH:30])([CH3:29])[CH3:28])[CH2:23][CH2:22]1.C(OC)(OC)OC.C(O)(=O)C.C(O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+]>ClCCCl>[Cl:1][C:2]1[N:10]=[C:9]2[C:5]([...
1
[H-].[Na+].[F:3][C:4]1[C:9]([F:10])=[CH:8][CH:7]=[CH:6][C:5]=1[C@H:11]1[CH2:17][N:16]2[C:18]([CH:21]([OH:26])[C:22]([F:25])([F:24])[F:23])=[CH:19][N:20]=[C:15]2[C@H:14]([NH:27][C:28](=[O:34])[O:29][C:30]([CH3:33])([CH3:32])[CH3:31])[CH2:13][CH2:12]1.I[CH3:36]>O1CCCC1>[F:3][C:4]1[C:9]([F:10])=[CH:8][CH:7]=[CH:6][C:5]=1[...
1
[Br:1][C:2]1[C:13]([CH3:14])=[CH:12][C:5]([O:6][CH2:7][CH2:8][C:9](=[O:11])[CH3:10])=[CH:4][C:3]=1[CH3:15].[BH4-].[Na+]>CO>[Br:1][C:2]1[C:13]([CH3:14])=[CH:12][C:5]([O:6][CH2:7][CH2:8][CH:9]([OH:11])[CH3:10])=[CH:4][C:3]=1[CH3:15]
2
C(C)NC(=O)NC=1SC2=C(N1)C=C(C=C2C#C[Si](C)(C)C)C=2C=NC(=NC2)N2CCC(CC2)(C(=O)OCC)C>CCO[H].[OH-].[K+]>C(C)NC(=O)NC=1SC2=C(N1)C=C(C=C2C#C)C=2C=NC(=NC2)N2CCC(CC2)(C(=O)OCC)C
3