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(C)(C)(C)OC(=O)N1CCN(CC1)C1=NC=C(C=N1)Br.ClC=1C=C(C=C(C1)Cl)C1=CC(=CC(=C1)O)C(=O)OC>[Cu]I.C1=CC=NC(=C1)C(=O)O[H].CS(=O)C.[Cl-].[NH4+].P(=O)([O-])([O-])[O-].[K+].[K+].[K+]>C(C)(C)(C)OC(=O)N1CCN(CC1)C1=NC=C(C=N1)OC=1C=C(C=C(C1)C1=CC(=CC(=C1)Cl)Cl)C(=O)O
3
[CH3:1][C@H:2]([C:15]([OH:17])=[O:16])[C:3]1[CH:4]=[CH:5][C:6]2[CH:7]=[C:8]([O:13][CH3:14])[CH:9]=[CH:10][C:11]=2[CH:12]=1.O[N:19]1[C:23](=[O:24])[CH2:22][CH2:21][C:20]1=[O:25].C1(N=C=NC2CCCCC2)CCCCC1>O1CCOCC1>[CH3:1][C@H:2]([C:15]([OH:17])=[O:16])[C:3]1[CH:4]=[CH:5][C:6]2[CH:7]=[C:8]([O:13][CH3:14])[CH:9]=[CH:10][C:11...
1
C1(=CC=CC=C1)C1=NC=CC=C1O>C1CCCO1.II.C([O-])([O-])=O.[Na+].[Na+].[O-]S(=O)(=S)[O-].[Na+].[Na+]>IC1=CC=C(C(=N1)C1=CC=CC=C1)O
3
[N:1]1[CH:6]=[CH:5][CH:4]=[C:3]([C:7]2[CH:12]=[CH:11][N:10]=[C:9]([NH:13][CH2:14][C:15]3[CH:24]=[CH:23][C:18]([C:19]([O:21]C)=[O:20])=[CH:17][CH:16]=3)[N:8]=2)[CH:2]=1.O[Li].O.Cl>C1COCC1.CO.O>[N:1]1[CH:6]=[CH:5][CH:4]=[C:3]([C:7]2[CH:12]=[CH:11][N:10]=[C:9]([NH:13][CH2:14][C:15]3[CH:16]=[CH:17][C:18]([C:19]([OH:21])=[O...
1
[C:1]([N:9]1[C:13]2([CH2:17][CH2:16][NH:15][C:14]2=O)[CH2:12][CH2:11][CH2:10]1)(=O)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[H-].[Al+3].[Li+].[H-].[H-].[H-]>O1CCCC1>[CH2:1]([N:9]1[C:13]2([CH2:17][CH2:16][NH:15][CH2:14]2)[CH2:12][CH2:11][CH2:10]1)[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1
2
B.OC(C)(C)C(C)(C)O.BrC=1C(=NN(C1)C1CCOCC1)C=1C(=C(C=CC1)N(S(=O)(=O)C1=C(C=CC(=C1)F)F)COC)F>>FC1=C(C=C(C=C1)F)S(=O)(=O)N(COC)C1=C(C(=CC=C1)C1=NN(C=C1B1OC(C(O1)(C)C)(C)C)C1CCOCC1)F
5
C(C)N(C(CN1C(=CC2=CC=CC=C12)C(=O)N[C@@H]1CC[C@H](CC1)C(NCCCCCCO)=O)=O)C1=CC(=CC=C1)CC>C1CCCO1.c3c(P(c1ccccc1)c2ccccc2)cccc3.c1cnc[nH]1.II.[O-]S(=O)(=S)[O-].[Na+].[Na+]>C(C)N(C(CN1C(=CC2=CC=CC=C12)C(=O)N[C@@H]1CC[C@H](CC1)C(NCCCCCCI)=O)=O)C1=CC(=CC=C1)CC
3
C([O:8][C:9]1[CH:14]=[CH:13][C:12]([NH:15][C:16]2[N:20]([CH3:21])[C:19]3[CH:22]=[CH:23][CH:24]=[CH:25][C:18]=3[N:17]=2)=[CH:11][CH:10]=1)C1C=CC=CC=1.C(O)(=O)C>C1COCC1.CO.[OH-].[OH-].[Pd+2]>[CH3:21][N:20]1[C:19]2[CH:22]=[CH:23][CH:24]=[CH:25][C:18]=2[N:17]=[C:16]1[NH:15][C:12]1[CH:13]=[CH:14][C:9]([OH:8])=[CH:10][CH:11]...
1
[OH:1][CH:2]([C:8]1[CH:17]=[C:16]([O:18][CH3:19])[C:15]2[C:10](=[C:11]([O:22][CH3:23])[CH:12]=[CH:13][C:14]=2[O:20][CH3:21])[C:9]=1[O:24][CH3:25])[CH2:3][CH2:4][CH:5]([CH3:7])[CH3:6].C1CCC(N=C=NC2CCCCC2)CC1.ClCCl.[C:44](O)(=[O:46])[CH3:45]>CN(C)C1C=CN=CC=1.CCCCCC>[C:44]([O:1][CH:2]([C:8]1[CH:17]=[C:16]([O:18][CH3:19])[...
1
C(S([C:6]1[N:11]=[CH:10][C:9]([C:12]([F:15])([F:14])[F:13])=[CH:8][N:7]=1)(=O)=O)C.[OH-:16].[Na+].Cl>>[F:13][C:12]([F:15])([F:14])[C:9]1[CH:8]=[N:7][C:6](=[O:16])[NH:11][CH:10]=1
1
FC1=C(C=C(C=C1)B(O)O)O.C(C)OC(CCCOC1=C(C(=CC=C1)CCCCCCOC1=CC(=CC(=C1)S(=O)(=O)CC)Br)CCC(=O)OCC)=O>C(=O)([O-])[O-].[Cs+].[Cs+].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)OC(CCCOC1=C(C(=CC=C1)CCCCCCOC=1C=C(C=C(C1)S(=O)(=O)CC)C1=CC(=C(C=C1)F)O)CCC(=O)OCC)=O
3
NC=1SC=C(N1)C1=CC=C(C(=O)NC2CC2)C=C1.C(=O)(OC(C)(C)C)N1[C@@H](C[C@H](C1)C1=CC=CC=C1)C(=O)O>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>C(C)(C)(C)OC(=O)N1[C@@H](C[C@H](C1)C1=CC=CC=C1)C(NC=1SC=C(N1)C1=CC=C(C=C1)C(NC1CC1)=O)=O
3
CI.C(C=C)C1=C2C(=NC=NC2=CC(=C1O)OC)NC1=CC=C(C=C1)Cl>C([O-])([O-])=O.[K+].[K+].CC(=O)C>C(C=C)C1=C2C(=NC=NC2=CC(=C1OC)OC)NC1=CC=C(C=C1)Cl
3
ClC1=NC(=C(C=C1)F)C(=O)O>>COC(=O)C1=NC(=CC=C1F)Cl
5
Cl.N1CCC(CC1)NC1=CC(=C(C#N)C=C1)C(F)(F)F.[Li+].FC(C1=CC=C(C=C1)N1CCC(CC1)CCCC(=O)[O-])(F)F>>FC(C1=C(C#N)C=CC(=C1)NC1CCN(CC1)C(CCCC1CCN(CC1)C1=CC=C(C=C1)C(F)(F)F)=O)(F)F
5
[CH3:1][C:2]1([CH3:13])[CH2:4][N:3]1[P:5](Cl)([N:7]1[CH2:9][C:8]1([CH3:11])[CH3:10])=[O:6].[CH2:14]([N:16]([CH2:23][CH3:24])[CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][NH2:22])[CH3:15]>C1COCC1>[CH3:1][C:2]1([CH3:13])[CH2:4][N:3]1[P:5]([N:7]1[CH2:9][C:8]1([CH3:11])[CH3:10])(=[O:6])[NH:22][CH2:21][CH2:20][CH2:19][CH2:18][CH...
1
[C]=[O:2].[CH2:3]([O:10][C:11]1[CH:16]=[CH:15][C:14]([Cl:17])=[CH:13][C:12]=1[N:18]1[C:22]([CH3:23])=[CH:21][CH:20]=[C:19]1[C:24]1[C:29](Br)=[CH:28][CH:27]=[CH:26][N:25]=1)[C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][CH:5]=1.[CH2:31]([OH:33])C.C(N([CH2:39][CH3:40])CC)C>[Pd].Cl[Pd](Cl)([P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)[P](C...
2
[I:1][CH:2]1[CH:8]2[CH2:9][CH:5]([C:6](=[O:10])[O:7]2)[CH2:4][CH2:3]1.[O:11]1CCCC1>O.Cl>[OH:7][C@H:8]1[C@H:2]([I:1])[CH2:3][CH2:4][C@@H:5]([C:6]([OH:10])=[O:11])[CH2:9]1
2
COC(CCC#N)=O>CCN(CC)CC.CCO[H].Cl.NO>COC(CCC(NO)=N)=O
3
Cl.NCC(=O)N1CSC[C@H]1C#N.ClC=1C=C(C=C2C(=CC=NC12)C(=O)O)N1CCOCC1>CC#N.C(C)(=O)OCC.CCCP1(=O)OP(=O)(OP(=O)(O1)CCC)CCC>ClC=1C=C(C=C2C(=CC=NC12)C(=O)NCC(=O)N1CSC[C@H]1C#N)N1CCOCC1
3
C(C#C)(=O)OC.N(=[N+]=[N-])CCCCN1N=NC(=C1)C(=O)OC(C)(C)C>>C(C)(C)(C)OC(=O)C=1N=NN(C1)CCCCN1N=NC(=C1)C(=O)OC
5
NC1=CC=CC=C1>O.S(O)(O)(=O)=O.CCCCCC.N(=O)[O-].[Na+].[N-]=[N+]=[N-].[Na+]>C1(CCCCC1)N=N
3
[Cl:1][C:2]1[CH:7]=[C:6]([Cl:8])[CH:5]=[CH:4][C:3]=1[CH:9]([CH3:23])[C:10]([C:16]1[CH:21]=[CH:20][NH:19][C:18](=[O:22])[CH:17]=1)([OH:15])[C:11]([F:14])([F:13])[F:12].Br[CH2:25][CH2:26][O:27][CH3:28]>>[Cl:1][C:2]1[CH:7]=[C:6]([Cl:8])[CH:5]=[CH:4][C:3]=1[CH:9]([CH3:23])[C:10]([C:16]1[CH:21]=[CH:20][N:19]=[C:18]([O:22][C...
1
[CH3:1][C:2]1[NH:3][C:4]2[C:9]([CH:10]=1)=[CH:8][C:7]([NH2:11])=[CH:6][CH:5]=2.[N:12]1[CH:17]=[CH:16][C:15]([CH2:18][NH:19][C:20]([C:22]2[S:30][C:29]3[C:24](=[N:25][CH:26]=[CH:27][C:28]=3Cl)[CH:23]=2)=[O:21])=[CH:14][CH:13]=1>>[N:12]1[CH:17]=[CH:16][C:15]([CH2:18][NH:19][C:20]([C:22]2[S:30][C:29]3[C:24](=[N:25][CH:26]=...
1
[Cl:1][C:2]1[CH:14]=[CH:13][C:5]([CH2:6][S:7][CH2:8][C:9](OC)=[O:10])=[CH:4][CH:3]=1.[NH2:15][OH:16].CO[Na]>CO>[Cl:1][C:2]1[CH:14]=[CH:13][C:5]([CH2:6][S:7][CH2:8][C:9]([NH:15][OH:16])=[O:10])=[CH:4][CH:3]=1
1
[S:1]1[C:7]2[CH:8]=[CH:9][CH:10]=[CH:11][C:6]=2[CH2:5][NH:4][C:3](=O)[CH2:2]1.[H-].[Al+3].[Li+].[H-].[H-].[H-].S([O-])([O-])(=O)=O.[Na+].[Na+]>O1CCCC1>[S:1]1[C:7]2[CH:8]=[CH:9][CH:10]=[CH:11][C:6]=2[CH2:5][NH:4][CH2:3][CH2:2]1
1
C(C)(C)(C)OC(NCC1=CC2=C(N(C(=N2)CN2C(C=C(C3=CC=CC=C23)OC)=O)CCCCO)C=C1)=O>ClCCl.C(=O)(C(F)(F)F)O.C(C)(=O)Cl>NCC1=CC2=C(N(C(=N2)CN2C(C=C(C3=CC=CC=C23)OC)=O)CCCCO)C=C1
3
C(=C)B1OC(C)(C)C(C)(C)O1.C1(CC1)C1=C(C(=NO1)C1=C(C=NC=C1Cl)Cl)C=C1CC2(C1)CCN(CC2)C(=O)OC(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].P(=O)([O-])([O-])[O-].[K+].[K+].[K+]>ClC=1C=NC=C(C1C1=NOC(=C1C=C1CC2(C1)CCN(CC2)C(=O)OC(C)(C)C)C2CC2)C=C
3
Cl[C:2]1[CH:7]=[C:6]([C:8]([F:11])([F:10])[F:9])[CH:5]=[CH:4][C:3]=1[N+:12]([O-:14])=[O:13].[NH2:15][CH2:16][C@@H:17]1[CH2:21][CH2:20][N:19]([C:22]([O:24][C:25]([CH3:28])([CH3:27])[CH3:26])=[O:23])[CH2:18]1.CCN(C(C)C)C(C)C>CS(C)=O>[N+:12]([C:3]1[CH:4]=[CH:5][C:6]([C:8]([F:11])([F:10])[F:9])=[CH:7][C:2]=1[NH:15][CH2:16]...
2
[Cl:1][C:2]1[N:10]=[CH:9][CH:8]=[CH:7][C:3]=1[C:4]([OH:6])=O.[NH2:11][C:12]1[CH:17]=[CH:16][C:15]([N:18]2[C:32]3[C:23](=[C:24]4[C:29](=[CH:30][CH:31]=3)[CH:28]=[N:27][CH:26]=[CH:25]4)[NH:22][C:21](=[O:33])[CH2:20][C:19]2=[O:34])=[CH:14][CH:13]=1>>[Cl:1][C:2]1[C:3]([C:4]([NH:11][C:12]2[CH:17]=[CH:16][C:15]([N:18]3[C:32]...
1
Br[C:2]1[CH:7]=[CH:6][C:5]([C:8]2[O:12][C:11]([CH3:13])=[N:10][CH:9]=2)=[CH:4][CH:3]=1.[CH3:14][CH:15]([N:17]1[CH2:22][CH2:21][N:20]([C:23]([C@H:25]2[CH2:29][CH2:28][NH:27][CH2:26]2)=[O:24])[CH2:19][CH2:18]1)[CH3:16]>>[CH3:16][CH:15]([N:17]1[CH2:22][CH2:21][N:20]([C:23]([C@H:25]2[CH2:29][CH2:28][N:27]([C:2]3[CH:7]=[CH:...
2
Cl.N[C@@H](C)C=1C(NC2=CC=C(C=C2C1)Cl)=O.ClC1=NC=CC(=N1)N(S(=O)(=O)C)C(C)C>CS(=O)C.C(C)(C)N(C(C)C)CC>ClC=1C=C2C=C(C(NC2=CC1)=O)[C@H](C)NC1=NC=CC(=N1)N(S(=O)(=O)C)C(C)C
3
BrC=1C=C(C=CC1)C(CO)(C)NC(CCl)=O>>BrC=1C=C(C=CC1)[C@](CO)(C)NC(CCl)=O
5
Br[C:2]1[C:8](Br)=[CH:7][C:6]([F:10])=[C:5]([F:11])[C:3]=1[NH2:4].C(N(CC)CC)C.[H][H]>CO.[Pd]>[F:11][C:5]1[C:6]([F:10])=[CH:7][CH:8]=[CH:2][C:3]=1[NH2:4]
2
C([O:3][C:4](=[O:24])[C:5]1[C:10]([O:11][C:12]2[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=2)=[CH:9][C:8]([N:18]2[CH2:23][CH2:22][O:21][CH2:20][CH2:19]2)=[N:7][CH:6]=1)C.CO.[OH-].[Na+]>O>[N:18]1([C:8]2[CH:9]=[C:10]([O:11][C:12]3[CH:13]=[CH:14][CH:15]=[CH:16][CH:17]=3)[C:5]([C:4]([OH:24])=[O:3])=[CH:6][N:7]=2)[CH2:23][CH2:22]...
1
C1(CC1)C=O.Cl.N[C@H]1[C@@H](C1)C1=CC=C(C=C1)NC(=O)C1=CC=C(C=C1)C1=CC=CC=C1>>Cl.C1(CC1)CN([C@H]1[C@@H](C1)C1=CC=C(C=C1)NC(=O)C1=CC=C(C=C1)C1=CC=CC=C1)CC1CC1
5
[CH3:1][C:2]([CH3:9])([CH3:8])[C:3](=O)[CH2:4][C:5]#[N:6].[OH:10][CH2:11][CH2:12][NH:13][NH2:14]>CCO>[NH2:6][C:5]1[N:13]([CH2:12][CH2:11][OH:10])[N:14]=[C:3]([C:2]([CH3:9])([CH3:8])[CH3:1])[CH:4]=1
1
ClC1=CC=C(C=C1)[C@@H]1NC(CC2=CC(=C(C=C12)OC(C)C)OC)=O.IC1=CC=C(C=C1)C(C)(O)C1=CC(=CC=C1)OC>>ClC1=CC=C(C=C1)[C@@H]1N(C(CC2=CC(=C(C=C12)OC(C)C)OC)=O)C1=CC=C(C=C1)C(C)(C1=CC(=CC=C1)OC)O
5
FC(C(=O)O)(C(C1=NNC(=N1)C1=CC=C(C=C1)[N+](=O)[O-])(F)F)F>>Cl.NC1=CC=C(C=C1)C1=NC(=NN1)C(C(C(=O)O)(F)F)(F)F
5
ClC=1C=C(C=CC1OC)B(O)O.BrC=1C=C2C=NN(C2=CC1)C1OCCCC1>O1CCOCC1.C([O-])([O-])=O.[Na+].[Na+].c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>ClC1=C(C=C(C=C1)C=1C=C2C=NN(C2=CC1)C1OCCCC1)OC
3
NC=1C=C(C(=O)OC)C=CC1O.C12(CC3CC(CC(C1)C3)C2)C2=CC=C(OCCC(=O)O)C=C2>>COC(=O)C=1C=CC2=C(N=C(O2)COC2=CC=C(C=C2)C23CC4CC(CC(C2)C4)C3)C1
5
[CH3:1][O:2][C:3](=[O:30])[C:4](=[C:16]1[CH2:21][CH2:20][CH:19]([NH:22][C:23]([O:25][C:26]([CH3:29])([CH3:28])[CH3:27])=[O:24])[CH2:18][CH2:17]1)[NH:5]C(OCC1C=CC=CC=1)=O>CO.[Pd]>[NH2:5][CH:4]([CH:16]1[CH2:21][CH2:20][CH:19]([NH:22][C:23]([O:25][C:26]([CH3:29])([CH3:28])[CH3:27])=[O:24])[CH2:18][CH2:17]1)[C:3]([O:2][CH3...
2
C(C)OC=1C=C(C(=O)O)C=CC1F>C1CCCO1.CCN(CC)CC.C(=O)(C=1NC=CN1)C=1NC=CN1>C(C)OC=1C=C(C=CC1F)C(CC(=O)OCC)=O
3
C(=O)NC1=CC=C(C(=O)OC(C)(C)C)C=C1>C1CCCO1.CCN(CC)CC.P(=O)(Cl)(Cl)Cl>[N+](#[C-])C1=CC=C(C(=O)OC(C)(C)C)C=C1
3
NC1=NN(C=C1C(=O)OCC)C1=NC=CC=N1>>NC1=NN(C=C1C(=O)O)C1=NC=CC=N1
5
Cl[C:2]1[N:7]=[C:6]([N:8]2[CH2:13][CH2:12][CH:11]([CH2:14][NH:15]C(=O)OC(C)(C)C)[CH2:10][CH2:9]2)[C:5]([CH:23]2[CH2:25][CH2:24]2)=[CH:4][N:3]=1.[NH2:26][C:27]1[CH:28]=[C:29]2[C:34](=[CH:35][CH:36]=1)[NH:33][C:32](=[O:37])[CH2:31][CH2:30]2>C(O)CCC.C(O)(C(F)(F)F)=O>[NH2:15][CH2:14][CH:11]1[CH2:10][CH2:9][N:8]([C:6]2[C:5]...
1
[Br:1][C:2]#[C:3][C:4]([O:6][CH3:7])=[O:5].[N:8]1([C:13]([O:15][C:16]([CH3:19])([CH3:18])[CH3:17])=[O:14])[CH:12]=[CH:11][CH:10]=[CH:9]1>C(OCC)(=O)C.CCCCCC>[Br:1][C:2]1[CH:9]2[N:8]([C:13]([O:15][C:16]([CH3:19])([CH3:18])[CH3:17])=[O:14])[CH:12]([CH:11]=[CH:10]2)[C:3]=1[C:4]([O:6][CH3:7])=[O:5]
2
CS(=O)(=O)Cl.NC1=C(C=C(C=C1)N1C(N([C@H]2[C@H]1CCCC2)C2=CC(=C(C#N)C=C2)C(F)(F)F)=O)F>ClCCl.c1ccncc1>C(#N)C1=C(C=C(C=C1)N1C(N([C@H]2[C@H]1CCCC2)C2=CC(=C(C=C2)NS(=O)(=O)C)F)=O)C(F)(F)F
3
[CH2:1]([N:3]1C([N+]([O-])=O)=CN=C1C=CC1C=CC=CC=1)C.NN1[NH:24][CH:23]=[C:22]([C:25]2[N:26]([CH2:33][CH2:34][CH3:35])[C:27]([N+:30]([O-:32])=[O:31])=[CH:28][N:29]=2)[S:21]1>>[NH2:3][C:1]1[S:21][C:22]([C:25]2[N:26]([CH2:33][CH2:34][CH3:35])[C:27]([N+:30]([O-:32])=[O:31])=[CH:28][N:29]=2)=[CH:23][N:24]=1
1
C(Cl)(Cl)Cl.[CH3:5][O:6][C:7]1[CH:16]=[C:15]2[C:10]([N:11]=[CH:12][C:13](=[O:38])[N:14]2[CH2:17][CH2:18][CH2:19][C:20]2([C:33]([O:35][CH2:36][CH3:37])=[O:34])[CH2:25][CH2:24][N:23](C(OC(C)(C)C)=O)[CH2:22][CH2:21]2)=[CH:9][CH:8]=1.FC(F)(F)C(O)=O.C(OCC)(=O)C>O>[CH3:5][O:6][C:7]1[CH:16]=[C:15]2[C:10]([N:11]=[CH:12][C:13](...
1
CC1=NC=CN1CC2CCC3=C(C=4C=CC=CC4N3C)C2=O>C(Cl)(Cl)(Cl)[H].Cl>CC1=NC=CN1CC2CCC3=C(C=4C=CC=CC4N3C)C2=O.Cl
3
C[S-].[Na+].BrC1=C(N)C=C(C(=C1)I)OC>O.Cl.C(C)(=O)OCC.N(=O)[O-].[Na+]>BrC1=C(C=C(C(=C1)I)OC)SC
3
[CH:1]1[C:10]2[C:5](=[C:6]([NH:11][C:12]([NH:14][CH2:15][CH:16]([CH2:22][C:23]3[CH:28]=[CH:27][C:26]([C:29]([F:32])([F:31])[F:30])=[CH:25][CH:24]=3)[C:17]([O:19]CC)=[O:18])=[O:13])[CH:7]=[CH:8][CH:9]=2)[CH:4]=[CH:3][N:2]=1.[OH-].[Li+]>C1COCC1>[CH:1]1[C:10]2[C:5](=[C:6]([NH:11][C:12]([NH:14][CH2:15][CH:16]([CH2:22][C:23...
1
[C:1]([O:5][C:6](=[O:24])[NH:7][CH2:8][CH:9]1[O:13][B:12]([OH:14])[C:11]2[C:15]([O:19][CH2:20][CH2:21][CH2:22]Br)=[CH:16][CH:17]=[CH:18][C:10]1=2)([CH3:4])([CH3:3])[CH3:2].[CH:25]1[C:26]2[C:41](=[O:42])[C:40]([C:43]([OH:45])=[O:44])=[CH:39][N:38]([CH:46]3[CH2:48][CH2:47]3)[C:27]=2[CH:28]=[C:29]([N:32]2[CH2:37][CH2:36][...
2
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.O1C(CCC=C1)CN>ClCCl.CCN(CC)CC>O1C(CCC=C1)CNC(OC(C)(C)C)=O
3
NC1=C(C=NN1C1CCCCC1)C#N>O.C(=O)N>C1(CCCCC1)N1N=CC=2C1=NC=NC2N
3
C(C)(C)(C)[Si](C)(C)Cl.O[C@H]1C[C@@H](O[C@@H]1CO)N1C(N=C2C(=C1)C=C(O2)C2=CC=C(C=C2)CCCCC)=O>>[Si](C)(C)(C(C)(C)C)OC[C@@H]1[C@H](C[C@@H](O1)N1C(N=C2C(=C1)C=C(O2)C2=CC=C(C=C2)CCCCC)=O)O
5
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.C(C1=CC=CC=C1)N1CC(OCC1)CO>CO[H].[HH].[Pd]>C(C)(C)(C)OC(=O)N1CC(OCC1)CO
3
BrC=1C=C(C(=NC1)C1OCCC(C1)S(=O)(=O)C1=CC(=CC=C1)C(F)(F)F)Cl>>BrC=1C=C(C(=NC1)C1OCCC(C1)(S(=O)(=O)C1=CC(=CC=C1)C(F)(F)F)C)Cl
5
C(OC([NH:8][CH2:9][C:10]([NH:12][C:13]1[CH:14]=[C:15]([C:24]2[S:46][C:27]3=[N:28][C:29]([N:33]4[CH2:38][CH2:37][N:36](C(OC(C)(C)C)=O)[CH2:35][CH2:34]4)=[CH:30][C:31](=[O:32])[N:26]3[N:25]=2)[CH:16]=[C:17]([C:19]([OH:23])(C)[CH2:20]O)[CH:18]=1)=[O:11])=O)(C)(C)C.O>C1COCC1>[C:19]([C:17]1[CH:18]=[C:13]([NH:12][C:10](=[O:1...
1
[CH3:1][S:2](Cl)(=[O:4])=[O:3].CCN(CC)CC.[CH3:13][O:14][C:15]1[CH:30]=[C:29]([O:31][CH3:32])[CH:28]=[CH:27][C:16]=1[CH2:17][N:18]1[CH2:22][CH:21]([CH:23]([OH:25])[CH3:24])[CH2:20][C:19]1=[O:26]>ClCCl.O>[CH3:1][S:2]([O:25][CH:23]([CH:21]1[CH2:20][C:19](=[O:26])[N:18]([CH2:17][C:16]2[CH:27]=[CH:28][C:29]([O:31][CH3:32])=...
1
FC=1C=C2C(NC(NC2=CC1F)=O)=O>P(=O)(Cl)(Cl)Cl>ClC1=NC2=CC(=C(C=C2C(=N1)Cl)F)F
3
[OH:1][C:2]1[CH:3]=[CH:4][CH:5]=[C:6]2[C:11]=1[N:10]=[CH:9][CH:8]=[CH:7]2.ClCCl.[OH:15]O>C[Re](=O)(=O)=O.[O-2].[O-2].[Mn+4]>[OH:1][C:2]1[CH:3]=[CH:4][CH:5]=[C:6]2[C:11]=1[N+:10]([O-:15])=[CH:9][CH:8]=[CH:7]2
1
ClC1=NC(=CC=C1[N+](=O)[O-])Cl.NC1CCN(CC1)C(=O)OC(C)(C)C>>C(C)(C)(C)OC(=O)N1CCC(CC1)NC1=NC(=CC=C1[N+](=O)[O-])Cl
5
[Cl:1][C:2]1[C:9]([F:10])=[CH:8][CH:7]=[C:6](F)[C:3]=1[C:4]#[N:5].O.[NH2:13][NH2:14]>C(O)C>[Cl:1][C:2]1[C:9]([F:10])=[CH:8][CH:7]=[C:6]2[C:3]=1[C:4]([NH2:5])=[N:13][NH:14]2
2
C1(=CC=CC=C1)C(N1C(C(C2=CC=CC=C12)=O)=O)C1=CC=CC=C1.N1=CC=NC2=CC(=CC=C12)O>C1CCCO1.C(C)(C)[Mg]Cl>C1(=CC=CC=C1)C(N1C(C(C2=CC=CC=C12)(C=1C=C2N=CC=NC2=CC1O)O)=O)C1=CC=CC=C1
3
Cl.N[C@@H](C)C=1C(NC2=CC=C(C=C2C1)Cl)=O.COC(NC1=NC(=NC=C1)Cl)=O>>COC(NC1=NC(=NC=C1)N[C@@H](C)C=1C(NC2=CC=C(C=C2C1)Cl)=O)=O
5
COC(C(C1=CC(=CC=C1)OCCCCCCCCCCCCCCCCCC)=O)=O>CO[H].[OH-].[Na+]>C(CCCCCCCCCCCCCCCCC)OC=1C=C(C=CC1)C(C(=O)O)=O
3
N1=C(N)N=C(N)N=C1N>C=O.NC(=O)N>NC(=O)N.N1=C(N)N=C(N)N=C1N
3
[H-].[Al+3].[Li+].[H-].[H-].[H-].C([O:10][C:11]1[C:16]([C:17]([CH3:20])([CH3:19])[CH3:18])=[CH:15][C:14]([O:21][CH2:22][CH2:23][CH3:24])=[C:13]([CH3:25])[C:12]=1[C:26]([CH3:29])([CH3:28])[CH3:27])(=O)C.[Cl-].[NH4+]>O1CCCC1>[C:26]([C:12]1[C:13]([CH3:25])=[C:14]([O:21][CH2:22][CH2:23][CH3:24])[CH:15]=[C:16]([C:17]([CH3:2...
1
BrC=1C(=C(SC1)N1C(=NN=C1C)[C@H](C)O[Si](C1=CC=CC=C1)(C1=CC=CC=C1)C(C)(C)C)C(=O)OC>C1CCCO1.CO[H].ClCCl.ClS(Cl)=O.[BH4-].[Li+]>BrC=1C(=C(SC1)N1C(=NN=C1C)[C@H](C)O[Si](C1=CC=CC=C1)(C1=CC=CC=C1)C(C)(C)C)CCl
3
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([N:8]2[C:24](=[O:25])[C:11]3=[CH:12][NH:13][C:14]([CH3:23])=[C:15]([C:16]4[CH:21]=[CH:20][CH:19]=[C:18](I)[CH:17]=4)[C:10]3=[N:9]2)=[CH:4][CH:3]=1.[NH:26]1[CH:30]=[CH:29][N:28]=[CH:27]1.C(=O)([O-])[O-].[K+].[K+]>CN1CCCC1=O.[Cu]>[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([N:8]2[C:24](=[O:25])[C:11]3=[...
1
O[C:2]1([C:8]2[N:13]=[CH:12][C:11]([OH:14])=[CH:10][CH:9]=2)[CH2:7][CH2:6][CH2:5][CH2:4][CH2:3]1.O.C1(C)C=CC(S(O)(=O)=O)=CC=1.O.C([O-])(O)=O.[Na+]>C1(C)C=CC=CC=1>[C:2]1([C:8]2[N:13]=[CH:12][C:11]([OH:14])=[CH:10][CH:9]=2)[CH2:7][CH2:6][CH2:5][CH2:4][CH:3]=1
1
BrC1=C(C=C(C=C1C)/C=C/C(=O)OCC)C>C1CCCO1.[HH].[Pd]>BrC1=C(C=C(C=C1C)CCC(=O)OCC)C
3
N(C)OC.C(C)(C)(C)OC(=O)N1CC=2N(CC1)C=C(N2)C(=O)OCC>>C(C)(C)(C)OC(=O)N1CC=2N(CC1)C=C(N2)C(=O)N(C)OC
5
C1=C(C=CC2=CC=CC=C12)C=1N=C(SC1)NC(=O)C1=C(C(=O)OC)C=CC=C1>>C1=C(C=CC2=CC=CC=C12)C=1N=C(SC1)NC(=S)C1=C(C(=O)OC)C=CC=C1
5
ClC1=C(C=O)C(=CC=C1)OC.Cl.Cl.C(C1=CC=CC=C1)(C1=CC=CC=C1)[C@@H]1CNC[C@H]2N1CCC2>N(C)(C)C=O.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+]>C(C1=CC=CC=C1)(C1=CC=CC=C1)[C@@H]1CN(C[C@H]2N1CCC2)CC2=C(C=CC=C2OC)Cl
3
[Cl:1][C:2]1[N:7]=[C:6]([Cl:8])[CH:5]=[C:4](Cl)[N:3]=1.[O:10]1[CH:14]=[CH:13][CH:12]=[C:11]1B(O)O.C(=O)([O-])[O-].[K+].[K+]>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>[Cl:1][C:2...
1
[O:1]1[C:6]2[CH:7]=[CH:8][CH:9]=[CH:10][C:5]=2[NH:4][CH2:3][CH2:2]1.Br[CH2:12][CH2:13][CH2:14][CH2:15][C:16]([O:18][CH2:19][CH3:20])=[O:17].[I-].[Na+].C(=O)([O-])[O-].[K+].[K+]>CN(C=O)C.O>[O:1]1[C:6]2[CH:7]=[CH:8][CH:9]=[CH:10][C:5]=2[N:4]([CH2:12][CH2:13][CH2:14][CH2:15][C:16]([O:18][CH2:19][CH3:20])=[O:17])[CH2:3][CH...
2
F[C:2]1[CH:7]=[CH:6][C:5]([S:8]([NH:11][C@@H:12]([CH2:16][C:17]2[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=2)[C:13]([OH:15])=[O:14])(=[O:10])=[O:9])=[CH:4][CH:3]=1.[Na].[CH2:24]([CH:31]1[CH2:36][CH2:35][NH:34][CH2:33][CH2:32]1)[C:25]1[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=1>>[CH2:24]([CH:31]1[CH2:36][CH2:35][N:34]([C:2]2[CH:...
1
C(C1=CC=CC=C1)ON(C(OC(C)(C)C)=O)CC>ClCCl.C(=O)(C(F)(F)F)O>C(C1=CC=CC=C1)ONCC
3
C(C)(C)(C)OC(NC1=CC(=CC=C1)CBr)=O.FC1=C(C=O)C(=CC=C1O)OC>>FC1=C(OCC=2C=C(C=CC2)NC(OC(C)(C)C)=O)C=CC(=C1C=O)OC
5
C(C)(C)(C)OC(=O)N1[C@H](CCCC1)CO.[N@]1(C(C1)C(=O)OC)C(=O)OCC1=CC=CC=C1>C(Cl)(Cl)(Cl)[H].B(F)(F)F.CCOCC>C(C1=CC=CC=C1)OC(=O)N[C@@H](COC[C@@H]1N(CCCC1)C(=O)OC(C)(C)C)C(=O)OC
3
CNN.C(C1=CC=CC=C1)(=O)CC(=O)OCC>C(C)(C)O>CN1N=C(CC1=O)C1=CC=CC=C1
3
OCC1=NC=CC=C1.C1(CCCCC1)[C@@H](C(NC)=O)NC(=O)C=1OC(=CC1)C1=NC=C(C=C1)O>>C1(CCCCC1)[C@@H](C(NC)=O)NC(=O)C=1OC(=CC1)C1=NC=C(C=C1)OCC=1C=NC=CC1
5
Cl.Cl.[N:3]1[CH:8]=[CH:7][C:6]([C:9]2[CH:14]3[CH2:15][CH2:16][N:11]([CH2:12][CH2:13]3)[CH:10]=2)=[CH:5][CH:4]=1.C1(N)C(F)=C(F)C(F)=C(N)C=1F.Cl.Cl>>[N:3]1[CH:8]=[CH:7][C:6]([CH:9]2[CH:14]3[CH2:15][CH2:16][N:11]([CH2:12][CH2:13]3)[CH2:10]2)=[CH:5][CH:4]=1
1
S(C)C.[Li+].[Cl-].[CH3:6][Mg]Cl.[CH3:9]/[C:10](=[CH:31]\[CH2:32][CH2:33][CH3:34])/[C:11]([N:13]1[C@@H:17]([C:18]2[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=2)[C@@H:16]([C:24]2[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=2)[O:15][C:14]1=[O:30])=[O:12]>C1COCC1.[NH4+].[OH-].[NH4+].[Cl-].O.C(O)(=O)C>[CH3:9][C@H:10]([C@H:31]([CH3:6])[C...
1
[C:1]([O:9][CH2:10][CH:11]=[CH:12][CH2:13][OH:14])(=[O:8])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[CH3:15][C:16]([CH3:21])([CH3:20])[C:17](Cl)=[O:18]>>[CH3:15][C:16]([CH3:21])([CH3:20])[C:17]([O:14][CH2:13][CH:12]=[CH:11][CH2:10][O:9][C:1](=[O:8])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1)=[O:18]
1
[CH:1]1([C:7]([NH2:9])=O)[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.COC1C=CC(P2(SP(C3C=CC(OC)=CC=3)(=S)S2)=[S:19])=CC=1>>[CH:1]1([C:7](=[S:19])[NH2:9])[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1
1
BrC1=CC=C(C=C1)[C@H]1CN(CC[C@@H]1O)C(C)C>CC#N.[Cu]I.O.FS(=O)(=O)C(C(=O)O)(F)F>BrC1=CC=C(C=C1)[C@H]1CN(CC[C@@H]1OC(F)F)C(C)C
3
ClC1=C(C(=O)Cl)C=CC(=C1)OC[C@H]1OC2=C(N(C1)C)C=CC=C2.NC=1C=C(C=CC1Cl)C(C(=O)OC)(C)C>ClCCl.c1ccncc1>ClC1=C(C=C(C=C1)C(C(=O)OC)(C)C)NC(C1=C(C=C(C=C1)OC[C@H]1OC2=C(N(C1)C)C=CC=C2)Cl)=O
3
COC1=C(C=CC2=CC=CC=C12)C(=O)O>>C(C)(C)(C)C1=C(C=CC2=CC=CC=C12)C(=O)O
5
S1C=C(C=C1)CC(=O)O>O.C(C)(=O)OC(C)=O.CN1C=NC=C1>S1C=C(C=C1)CC(C)=O
3
C(O[C:4](=[O:20])[C:5](=[CH:11][NH:12][C:13]1[CH:18]=[CH:17][C:16]([I:19])=[CH:15][CH:14]=1)[C:6]([O:8][CH2:9][CH3:10])=[O:7])C.C(O)C>C1(OC2C=CC=CC=2)C=CC=CC=1>[CH2:9]([O:8][C:6]([C:5]1[C:4](=[O:20])[C:14]2[C:13](=[CH:18][CH:17]=[C:16]([I:19])[CH:15]=2)[NH:12][CH:11]=1)=[O:7])[CH3:10]
1
C1(CC1)C(=O)N1CCC(CC1)C1=CC(=C(OCC2=C(SC(=C2C2CC2)C)C2=CC=CC(=N2)N2N=CC(=C2C(F)(F)F)C(=O)OCC)C=C1)C>O.C1CCCO1.CS(=O)C.[OH-].[Li+]>C1(CC1)C(=O)N1CCC(CC1)C1=CC(=C(OCC2=C(SC(=C2C2CC2)C)C2=CC=CC(=N2)N2N=CC(=C2C(F)(F)F)C(=O)O)C=C1)C
3
CI.ClC=1N=C(C2=C(N1)CC(N2C)=O)N2CCOCC2>C1CCCO1.[Cl-].[NH4+]>ClC=1N=C(C2=C(N1)C(C(N2C)=O)(C)C)N2CCOCC2
3
[N:1]12[CH2:8][CH2:7][CH2:6][C:5]1([CH2:9][N:10]([C:13]1[C:22]3[C:17](=[CH:18][CH:19]=[CH:20][CH:21]=3)[C:16]([O:23][CH3:24])=[CH:15][CH:14]=1)[CH:11]=O)[CH2:4][CH2:3][CH2:2]2.Cl>C1COCC1>[N:1]12[CH2:8][CH2:7][CH2:6][C:5]1([CH2:9][N:10]([C:13]1[C:22]3[C:17](=[CH:18][CH:19]=[CH:20][CH:21]=3)[C:16]([O:23][CH3:24])=[CH:15]...
1
[CH:1]1([CH:7]([NH:22][C:23]2[CH:28]=[CH:27][C:26]([C:29]([N:31]([CH3:39])[CH2:32][CH2:33][C:34]([O:36]CC)=[O:35])=[O:30])=[CH:25][CH:24]=2)[C:8]2[S:16][C:15]3[C:10](=[N:11][CH:12]=[C:13]([C:17]([F:20])([F:19])[F:18])[CH:14]=3)[C:9]=2[CH3:21])[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.O1CCCC1.[OH-].[Na+]>C(O)C>[CH:1]1([CH:7]...
1
Cl.NCCS.OCC=1C(=NSC1)C>CCO[H].C([O-])([O-])=O.[K+].[K+].Br>CN=C=S.Br.CC1=NSC=C1CSCCN.CNC(=S)NCCSCC=1C(=NSC1)C
3
FC(F)(F)C(O)=[O:4].[CH3:8][C:9]1[S:13][C:12]([S:14]([N:17]2[CH2:22][CH2:21][NH:20][C:19](=O)[CH2:18]2)(=[O:16])=[O:15])=[N:11][N:10]=1.[N:24]1([CH2:33][C:34](O)=[O:35])[CH:32]=[C:30]([CH3:31])[C:28](=[O:29])[NH:27][C:25]1=[O:26]>>[CH3:8][C:9]1[S:13][C:12]([S:14]([N:17]2[CH2:22][CH2:21][N:20]([C:34](=[O:35])[CH2:33][N:2...
1