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
[F:1][C@@H:2]1[CH2:6][N:5]([C:7](=[O:27])[CH2:8][NH:9][C@@:10]2([CH3:26])[CH2:14][CH2:13][C@@H:12]([CH2:15][C:16]3[N:20]=[C:19]([CH:21]([CH3:23])[CH3:22])[O:18][N:17]=3)[C:11]2([CH3:25])[CH3:24])[C@H:4]([C:28]#[N:29])[CH2:3]1.[CH3:30][S:31]([OH:34])(=[O:33])=[O:32]>C(OCC)(=O)C>[CH3:30][S:31]([OH:34])(=[O:33])=[O:32].[F...
1
ClC1=NC(=C2N=CN(C2=N1)C1CCCC1)Cl.N1(N=CC=C1)C1=C(CN)C=CC=C1>CCO[H]>N1(N=CC=C1)C1=C(CNC2=C3N=CN(C3=NC(=N2)Cl)C2CCCC2)C=CC=C1
3
[F:1][CH:2]([F:29])[C:3]([N:5]1[C@H:9]([CH2:10][F:11])[C@@H:8]([C:12]2[CH:17]=[CH:16][C:15](B3OC(C)(C)C(C)(C)O3)=[CH:14][CH:13]=2)[O:7][C:6]1([CH3:28])[CH3:27])=[O:4].Br[C:31]1[CH:32]=[CH:33][C:34]([CH:37]([NH:39][C:40](=[O:49])[O:41][CH2:42][C:43]2[CH:48]=[CH:47][CH:46]=[CH:45][CH:44]=2)[CH3:38])=[N:35][CH:36]=1.C(=O)...
1
C(#C)[Mg]Br.ClC=1C=C(C=CC1)C1=NN2C=NC=CC2=C1C=O>C1CCCO1>ClC=1C=C(C=CC1)C1=NN2C=NC=CC2=C1C(C#C)O
3
N1=CC(=CC(=C1)C(=O)O)C(=O)O>CO[H].ClS(Cl)=O>Cl.COC(=O)C=1C=NC=C(C1)C(=O)O
3
C(C)OC(=O)C=1C(=NN(C1C(=O)OCC)CC(C1CC1)NC(=O)OC(C)(C)C)I>>C1(CC1)C1NC(C=2N(C1)N=C(C2C(=O)OCC)I)=O
5
[CH2:1]([O:3][C:4]([N:6]1[CH2:11][CH2:10][C@@H:9]([OH:12])[C@H:8]([C:13]2[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=2)[CH2:7]1)=[O:5])[CH3:2].C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.[Cl:38][C:39]1[CH:44]=[CH:43][CH:42]=[CH:41][C:40]=1O.N(C(OCC)=O)=NC(OCC)=O>C1C=CC=CC=1>[Cl:38][C:39]1[CH:44]=[CH:43][CH:42]=[CH:41][C:40]=1[O:1...
1
ClC=1C(=CC(=NC1)C=1C=NC(=NC1)C(F)(F)F)CNC(=O)[C@H]1N(C[C@@H](C1)F)C(=O)OC(C)(C)C>Cl.O1CCOCC1>Cl.ClC=1C(=CC(=NC1)C=1C=NC(=NC1)C(F)(F)F)CNC(=O)[C@H]1NC[C@@H](C1)F
3
I[C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][CH:10]=1)[NH:7][N:6]=[CH:5]2.[CH:11](O[Na])=[O:12].[C]=O>CN(C=O)C.[Cl-].[Na+].O.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>[NH:7]1[C:8]2[C:4](=[CH:3][C:2]([CH:11]=[O:12])=[CH:10][CH:9]=2)[CH:5]=[N:6]1
1
O[C@@H]1C(NCC1)=O.OC=1C=C(C(=O)OC)C=C(C1)OC1=CC=C(C=C1)C=1OC(=NN1)C>C1CCCO1.c3c(P(c1ccccc1)c2ccccc2)cccc3.N(=NC(=O)OC(C)C)C(=O)OC(C)C>CC1=NN=C(O1)C1=CC=C(OC=2C=C(C(=O)OC)C=C(C2)O[C@H]2C(NCC2)=O)C=C1
3
CC([O:5][C:6]([NH:8][CH:9]([NH:18][CH2:19][C:20]1[CH:25]=[CH:24][CH:23]=[CH:22][C:21]=1[O:26][CH2:27][CH2:28][CH3:29])[NH:10][C:11](=[O:17])[O:12][C:13]([CH3:16])([CH3:15])[CH3:14])=O)(C)C.[CH2:30]([NH:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][NH:42][C:43](=[O:52])[O:44][CH2:45][C:46]1[CH:51]=...
2
BrC=1C(=C(C(=NC1C)C)C(C(=O)OC(C)C)=O)N1CCC(CC1)C1=NC(=NO1)C(C)C>>BrC=1C(=C(C(=NC1C)C)[C@@H](C(=O)OC(C)C)O)N1CCC(CC1)C1=NC(=NO1)C(C)C
5
[OH:1][CH2:2][CH2:3][N:4]1[CH2:9][CH2:8][NH:7][CH2:6][CH2:5]1.C(=O)([O-])[O-].[Na+].[Na+].C(OC(=O)[N:22]([C:39]1[CH:44]=[C:43](Cl)[N:42]=[C:41]([CH3:46])[N:40]=1)[C:23]1[S:24][C:25]([C:28](=[O:38])[NH:29][C:30]2[C:35]([CH3:36])=[CH:34][CH:33]=[CH:32][C:31]=2[Cl:37])=[CH:26][N:27]=1)(C)(C)C.C(NC(C)(C)C)(C)(C)C.C(O)C(N)(...
1
CC(C)(C)N1N=C(C2=C1NC(C=C2C(=O)OCC)=O)C>c1ccncc1.FC(S(=O)(=O)OS(=O)(=O)C(F)(F)F)(F)F>CC(C)(C)N1N=C(C2=C1N=C(C=C2C(=O)OCC)OS(=O)(=O)C(F)(F)F)C
3
[Br-].C[Mg+].C1(CCC1)N(CC#N)C1(CC1)C1=CC(=CC=C1)C(F)(F)F>C1(=CC=CC=C1)C.CC([O-])C.[Ti+4].CC([O-])C.CC([O-])C.CC([O-])C.[Cl-].[NH4+]>C1(CCC1)N(CC(C)(N)C)C1(CC1)C1=CC(=CC=C1)C(F)(F)F
3
C(#N)C=1C=C(C=C(C1)F)C1CCC(C(C1)NC(C1=NC=CC=C1)=O)O>>C(#N)C=1C=C(C=C(C1)F)C1CCC(C(C1)NC(C1=NC=CC=C1)=O)=O
5
COC1C=CC(P2(SP(C3C=CC(OC)=CC=3)(=S)S2)=[S:10])=CC=1.[Cl:23][C:24]1[C:39]([C:40]([F:43])([F:42])[F:41])=[CH:38][CH:37]=[CH:36][C:25]=1[CH2:26][N:27]1[C@@H:32]([CH3:33])[CH2:31][NH:30][C:29](=O)[C:28]1=[O:35]>C1COCC1>[Cl:23][C:24]1[C:39]([C:40]([F:43])([F:42])[F:41])=[CH:38][CH:37]=[CH:36][C:25]=1[CH2:26][N:27]1[C@@H:32]...
1
FC1(OC2=C(O1)C=CC(=C2)O[C@H]2C[C@H](N(C2)C2=CC=C(C(=O)OC)C=C2)COC(F)F)F>O.C1CCCO1.CO[H].Cl.O[Li].O>FC1(OC2=C(O1)C=CC(=C2)O[C@H]2C[C@H](N(C2)C2=CC=C(C(=O)O)C=C2)COC(F)F)F
3
[NH:1]([C:7]([O:9][C:10]([CH3:13])([CH3:12])[CH3:11])=[O:8])[C@H:2]([C:4](O)=O)[CH3:3].[NH2:14][C:15]1[CH:16]=[C:17]([F:22])[CH:18]=[CH:19][C:20]=1[NH2:21].C([O-])([O-])=O.[K+].[K+]>N1C=CC=CC=1.CCOC(C)=O.CC(O)=O>[F:22][C:17]1[CH:18]=[CH:19][C:20]2[N:21]=[C:4]([C@@H:2]([NH:1][C:7](=[O:8])[O:9][C:10]([CH3:13])([CH3:12])[...
1
C(C1=CC=CC=C1)OC1=C(C=C2N3C(C(NN=C3COC2=C1)=O)C)[N+](=O)[O-]>>NC=1C=C2N3C(C(NN=C3COC2=CC1OCC1=CC=CC=C1)=O)C
5
C1(CCCCC1)N.BrC=1C=C2C=NN=C(C2=CC1)Cl>>BrC=1C=C2C=NN=C(C2=CC1)NC1CCCCC1
5
[CH3:1][C:2]1[NH:8][C:7](=[O:9])[C:6]2[CH:10]=[CH:11][CH:12]=[CH:13][C:5]=2[O:4][CH:3]=1.[H-].[Na+].[Br:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21]Br>CN(C)C=O>[Br:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][N:8]1[C:7](=[O:9])[C:6]2[CH:10]=[CH:11][CH:12]=[CH:13][C:5]=2[O:4][CH:3]=[C:2]1[CH3:1]
1
C(O[C:4]([C:6]1[CH:11]=[C:10]([C:12]2[CH:13]=[N:14][CH:15]=[C:16]([F:18])[CH:17]=2)[CH:9]=[C:8]([CH3:19])[N:7]=1)=[O:5])C.[CH3:20][O:21][CH2:22][C:23]1[N:24]=[C:25]([NH2:28])[S:26][CH:27]=1>>[CH3:20][O:21][CH2:22][C:23]1[N:24]=[C:25]([NH:28][C:4]([C:6]2[CH:11]=[C:10]([C:12]3[CH:13]=[N:14][CH:15]=[C:16]([F:18])[CH:17]=3...
1
C(=O)([O-])[O-].[K+].[K+].[P:7](Cl)([O:12][CH2:13][CH3:14])([O:9][CH2:10][CH3:11])=[S:8].[C:16]([C:18]1[S:19][C:20]([S:24][CH2:25][CH3:26])=[CH:21][C:22]=1[OH:23])#[N:17]>C(#N)C>[C:16]([C:18]1[S:19][C:20]([S:24][CH2:25][CH3:26])=[CH:21][C:22]=1[O:23][P:7]([O:12][CH2:13][CH3:14])([O:9][CH2:10][CH3:11])=[S:8])#[N:17]
1
FC=1C=C(OCC2=CC=C3C(CCO3)=C2O)C=CC1F>ClCCl.CCN(CC)CC.FC(S(=O)(=O)OS(=O)(=O)C(F)(F)F)(F)F>FC(S(=O)(=O)OC1=CC(=CC2=C1CCO2)COC2=CC(=C(C=C2)F)F)(F)F
3
FC(CC(=O)O)(F)F.ClC=1C=C(C=C(C1F)Cl)C(/C=C/C=1C=C2CCN(C2=CC1)N)C(F)(F)F>ClCCl.C(C)(C)N(C(C)C)CC.C1CCN(C1)[P+](N2CCCC2)(N3CCCC3)ON4C5=C(C=CC=C5)N=N4.F[P-](F)(F)(F)(F)F>ClC=1C=C(C=C(C1F)Cl)C(/C=C/C=1C=C2CCN(C2=CC1)NC(CC(F)(F)F)=O)C(F)(F)F
3
C(C(O)C)(=O)OCCCC>>O(C1=CC=CC=C1)CC(=O)O
5
CC(CCS(=O)(=O)C1=NN=NN1C1=CC=CC=C1)(CCCCC)O[Si](C)(C)C.C(=O)[C@@H]1N(C(O[C@H]1C)=O)CCSC=1SC=C(N1)C(=O)OCCCC>>C[C@H]1[C@@H](N(C(O1)=O)CCSC=1SC=C(N1)C(=O)OCCCC)\C=C\CC(CCCCC)(O[Si](C)(C)C)C
5
[NH:1]([C:3]1[CH:8]=[C:7]([C:9]2[C:18]3[C:13](=[CH:14][C:15]([O:22][CH2:23][CH3:24])=[C:16]([O:19][CH2:20][CH3:21])[CH:17]=3)[CH:12]=[C:11]([CH2:25][OH:26])[CH:10]=2)[CH:6]=[CH:5][N:4]=1)[NH2:2].[C:27]([C:30]1[CH:35]=[CH:34][CH:33]=[CH:32][C:31]=1[C:36]([C:38]1[CH:43]=[CH:42][CH:41]=[CH:40][CH:39]=1)=O)(O)=[O:28]>C(O)C...
1
[F:1][C:2]1[C:7]([F:8])=[CH:6][CH:5]=[CH:4][C:3]=1[CH2:9][OH:10].Cl[C:12]1[CH:24]=[C:16]2[N:17]([CH2:22][CH3:23])[C@@H:18]([CH3:21])[CH2:19][CH2:20][N:15]2[C:14](=[O:25])[N:13]=1>>[F:1][C:2]1[C:7]([F:8])=[CH:6][CH:5]=[CH:4][C:3]=1[CH2:9][O:10][C:12]1[CH:24]=[C:16]2[N:17]([CH2:22][CH3:23])[C@@H:18]([CH3:21])[CH2:19][CH2...
2
CI.BrC1=NC=2N(C(NC(C2N1)=O)=O)C>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>BrC1=NC=2N(C(NC(C2N1C)=O)=O)C
3
NC1=C(C=CC=C1)S.BrC=1C=C(C=O)C=C(C1)Br>C(C)(=O)O.C(C)(=O)[O-].C(C)(=O)[O-].C(C)(=O)[O-].C(C)(=O)[O-].[Pb+4]>BrC=1C=C(C=C(C1)Br)C=1SC2=C(N1)C=CC=C2
3
COC(C(=O)OC)=O.FC1=C(C=C(C=C1)C(C)=O)O>C(C)OCC.Cl.C[O-].[Na+]>FC1=C(C=C(C=C1)C(CC(C(=O)OC)=O)=O)O
3
COC(C(=O)NC1=CC=C(C=C1)[C@@H]1CC[C@H](CC1)C(=O)OC(C)(C)C)=O>>N(N)C(C(=O)NC1=CC=C(C=C1)[C@@H]1CC[C@H](CC1)C(=O)OC(C)(C)C)=O
5
C[Si](C)(C)Cl.ClC=1C=C(C#N)C=C(C1)OC=1C(N(C=CC1C(F)(F)F)CC1=C(N=NC(=C1)C(F)F)OC)=O>CC#N.CO[H].[I-].[K+]>ClC=1C=C(C#N)C=C(C1)OC=1C(N(C=CC1C(F)(F)F)CC=1C(NN=C(C1)C(F)F)=O)=O
3
C([O-])(=O)C.[Na+].Cl.[NH2:7][CH2:8][C:9]([C:11]1[CH:16]=[CH:15][C:14]([O:17][CH2:18][C:19]2[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=2)=[CH:13][CH:12]=1)=[O:10].[C:25](Cl)(=[O:41])[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH3:40].C(Cl)Cl>O1CCCC1>[C:25]...
1
[F:1][C:2]1[CH:3]=C([CH:7]=[C:8]([F:17])[C:9]=1[N:10]([CH2:14][CH2:15][OH:16])[CH2:11][CH2:12][OH:13])C#N.[OH-:18].[Na+].[CH2:20]([OH:22])[CH3:21]>>[F:1][C:2]1[CH:3]=[C:21]([CH:7]=[C:8]([F:17])[C:9]=1[N:10]([CH2:14][CH2:15][OH:16])[CH2:11][CH2:12][OH:13])[C:20]([OH:18])=[O:22]
1
BrC=1C(=NC(=NC1)N1C([C@@H]2C[C@@H]2C1)C(=O)O)C>N(C)(C)C=O.CCN(CC)CC.OC1=CC=CC=2NN=NC21.[Cl-].[NH4+].CCN=C=NCCCN(C)C>BrC=1C(=NC(=NC1)N1C([C@@H]2C[C@@H]2C1)C(=O)N)C
3
[CH:1]1([CH2:6][C@H:7]([C:11]2[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=2)[C:8]([OH:10])=O)[CH2:5][CH2:4][CH2:3][CH2:2]1.[CH3:17][O:18][C:19]1[N:24]=[C:23]2[S:25][C:26]([NH2:28])=[N:27][C:22]2=[CH:21][CH:20]=1>S(Cl)(Cl)=O.C1COCC1.N1C=CC=CC=1>[CH:1]1([CH2:6][C@H:7]([C:11]2[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=2)[C:8]([NH:28...
1
[Na+].[I-].[CH2:3]=[C:4]1[CH2:8][N:7]([C:9]([O:11][C:12]([CH3:15])([CH3:14])[CH3:13])=[O:10])[C@H:6]([C:16]([O:18][CH3:19])=[O:17])[CH2:5]1.[Si]([C:24](F)([F:26])[F:25])(C)(C)C>O1CCCC1>[F:25][C:24]1([F:26])[C:4]2([CH2:5][C@@H:6]([C:16]([O:18][CH3:19])=[O:17])[N:7]([C:9]([O:11][C:12]([CH3:15])([CH3:13])[CH3:14])=[O:10])...
2
C1(C)C=CC=CC=1.C(O)(=[O:10])C.[CH:12]([CH:25]1[CH2:27][O:26]1)([C:19]1[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=1)[C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1>CC(C1C=C(C=N[C@H]2[C@H](N=CC3C([O-])=C(C(C)(C)C)C=C(C(C)(C)C)C=3)CCCC2)C([O-])=C(C(C)(C)C)C=1)(C)C.[Co+2].O>[CH:12]([C@@H:25]1[CH2:27][O:26]1)([C:19]1[CH:20]=[CH:2...
1
CO[C@@H]1[C@H]([C@H](N(C1)C(=O)OC(C)(C)C)C(=O)OC)CCCB1O[C@@]2([C@H](O1)C[C@H]1C([C@@H]2C1)(C)C)C>C1CCCO1.CO[H].Cl.[OH-].[Li+]>C(C)(C)(C)OC(=O)N1[C@@H]([C@@H]([C@H](C1)OC)CCCB1O[C@@]2([C@H](O1)C[C@H]1C([C@@H]2C1)(C)C)C)C(=O)O
3
C1(CC1)N1C=C(C(C2=CC(=C(C=C12)F)F)=O)C(=O)O.FCC1NCCNC1>c1ccncc1>C1(CC1)N1C=C(C(C2=CC(=C(C=C12)N1CC(NCC1)CF)F)=O)C(=O)O
3
[CH:1](=[N:8][CH:9]=[C:10]([CH2:13][CH3:14])[CH2:11][CH3:12])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.C(N)[C:16]1[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=1.[CH2:23](C(=CC)C=O)[CH3:24]>>[CH2:11]([C:10]1([CH2:23][CH3:24])[CH2:13][CH:14]=[CH:17][CH2:18][CH2:19][CH:20]=[CH:21][CH2:16][CH:1]([C:2]2[CH:7]=[CH:6][CH:5]=[CH:4][CH...
1
COCCOC=1C=C(C=C(C1)OCCOC)[C@H](CC(=O)OC)CN1C[C@@](CC1)(CCC1=NC=2NCCCC2C=C1)F>C1CCCO1.[OH-].[Li+]>COCCOC=1C=C(C=C(C1)OCCOC)[C@H](CC(=O)O)CN1C[C@@](CC1)(CCC1=NC=2NCCCC2C=C1)F
3
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.BrC1=CC=C2OC3CCCCC3C3(C2=C1)N=C(OC3)N>C1CCCO1.CCN(CC)CC>BrC1=CC=C2OC3CCCCC3C3(C2=C1)N=C(OC3)NC(OC(C)(C)C)=O
3
[CH3:1][O:2][C:3]1[CH:8]=[CH:7][C:6]([S:9]([N:12]([CH2:28][C:29]2[CH:30]=[N:31][CH:32]=[CH:33][CH:34]=2)[C:13]2[C:18]([C:19]([O:21]CC)=[O:20])=[CH:17][N:16]=[C:15]3[S:24][N:25]=[C:26]([CH3:27])[C:14]=23)(=[O:11])=[O:10])=[CH:5][CH:4]=1.[OH-].[K+]>>[CH3:1][O:2][C:3]1[CH:8]=[CH:7][C:6]([S:9]([N:12]([CH2:28][C:29]2[CH:30]...
1
Cl.C(CCCC=C)(=O)NC[C@]12C[C@H](N[C@@H]2C1)C(=O)NC1=NC(=CC=C1C)C(F)(F)F.C(C)(=O)C1=NN(C2=C(C=C(C=C12)C=C(C)C)CC=C)CC(=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)(=O)C1=NN(C2=C(C=C(C=C12)C=C(C)C)CC=C)CC(=O)N1[C@@H]2C[C@@]2(C[C@H]1C(=O)NC1=NC(=CC=C1C)C(F)(F)F)CNC(CCCC=C)=...
3
ClC1=C(OC2=C(C(=NN2C)C)C=O)C=C(C=C1)Cl>O.C(C)(C)(C)O.Cl(=O)[O-].[Na+].CC(C)=CC>ClC1=C(OC2=C(C(=NN2C)C)C(=O)O)C=C(C=C1)Cl
3
[CH:1]1([N:7]2[C:11]([C:12]3[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=3)=[C:10]([C:18](=[N:20][OH:21])[NH2:19])[CH:9]=[N:8]2)[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.[F:22][C:23]([F:34])([F:33])[C:24]1[CH:25]=[C:26]([CH:30]=[CH:31][CH:32]=1)[C:27](O)=O>>[CH:1]1([N:7]2[C:11]([C:12]3[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=3)=[C:10...
2
NCC1CC(CCC1)CN>C1(=CC(=CC=C1)C)C>CC=1C=C(CN)C=CC1.NCC1CC(CCC1)C
3
Cl.C([N:4]=C=NCCCN(C)C)C.[Br:13][C:14]1[C:19]2[CH:20]=[C:21]([C:23]([CH3:26])([CH3:25])[CH3:24])[O:22][C:18]=2[C:17]([C:27](O)=[O:28])=[CH:16][C:15]=1[C:30]1[CH:35]=[CH:34][CH:33]=[CH:32][CH:31]=1.OC1C2N=NNC=2C=CC=1.N>CN(C)C=O>[Br:13][C:14]1[C:19]2[CH:20]=[C:21]([C:23]([CH3:26])([CH3:25])[CH3:24])[O:22][C:18]=2[C:17]([...
1
C(C1=CC=CC=C1)(=O)O[C@@H]1C(C2=CC[C@H]3[C@@H]4CC=C([C@@H](CCCC(C)C)C)[C@]4(CC[C@@H]3[C@]2(CC1)C)C)(C)C>ClCCl.ClC=1C=C(C(=O)OO)C=CC1>C(C1=CC=CC=C1)(=O)O[C@@H]1C(C2=CC[C@H]3[C@@H]4C5[C@@H]([C@H]([C@@H](CCCC(C)C)C)[C@]4(CC[C@@H]3[C@]2(CC1)C)C)O5)(C)C
3
[C:1]([C:3]1[CH:4]=[C:5]2[C:10](=[CH:11][C:12]=1F)[O:9][CH2:8][CH2:7][CH:6]2[C:14]([O:16][CH3:17])=[O:15])#[N:2].[OH:18][C:19]1[CH:31]=[CH:30][C:22]([C:23]([O:25][C:26]([CH3:29])([CH3:28])[CH3:27])=[O:24])=[CH:21][C:20]=1[CH3:32].C(=O)([O-])[O-].[K+].[K+]>CS(C)=O>[C:26]([O:25][C:23]([C:22]1[CH:30]=[CH:31][C:19]([O:18][...
1
C1(CC1)N.N1(CCC1)C(=O)C1=CC=C(C=N1)OC=1C=C(OC(C(=O)OCC)CCOS(=O)(=O)C)C=C(C1)C(NC1=NC=C(N=C1)C)=O>CC#N.[I-].[Na+]>N1(CCC1)C(=O)C1=CC=C(C=N1)OC=1C=C(C(=O)NC2=NC=C(N=C2)C)C=C(C1)O[C@H]1C(N(CC1)C1CC1)=O
3
[CH3:1][C@@H:2]([C@@H:8]1[C@@:12]2([CH3:29])[C@@H:13]([OH:28])[CH2:14][C@@H:15]3[C@@:20]4([CH3:26])[CH2:21][CH2:22][C@@H:23]([OH:25])[CH2:24][C@H:19]4[CH2:18][C@@H:17]([OH:27])[C@H:16]3[C@@H:11]2[CH2:10][CH2:9]1)[CH2:3][CH2:4]C(O)=O.[CH3:30][S:31](Cl)(=[O:33])=[O:32].[C:35]([O:38]CC)(=[O:37])[CH3:36].O>N1C=CC=CC=1.ClCC...
2
C(C)(=O)OC(C)C#CC1=C(C=CC=C1)\C=N/O>ClCCl.BrN1C(CCC1=O)=O>C(C)(=O)OC(C)C=1[N+](=CC2=CC=CC=C2C1Br)[O-]
3
N1=C(C=CC=C1)CC(=O)OC>C(C)(=O)O.N(=O)[O-].[Na+]>COC(C(C1=NC=CC=C1)=NO)=O
3
FC1=CC=C(CBr)C=C1.C(C)OC(=O)C=1C=NNC1>>FC1=CC=C(CN2N=CC(=C2)C(=O)OCC)C=C1
5
ClC=1C=C(C=CC1)C(C)(O[Si](C)(C)C)C1=COC=C1>N(C)(C)C=O.C(C)OCC.C(C)(C)(C)[Li].CCCCC>ClC=1C=C(C=CC1)C(C)(O[Si](C)(C)C)C=1C=C(OC1)C=O
3
C1(CCCCC1)N.CC1=CC(C=C(O1)C(=O)O)=O>N(C)(C)C=O.C(=O)(C=1NC=CN1)C=1NC=CN1>C1(CCCCC1)NC(=O)C=1OC(=CC(C1OCC1=CC=CC=C1)=O)C
3
CC1=C(N)C(=CC(=C1)C)C.C(C)OC(=O)C1=CN(C(=C1)C1=NC(=NC=C1)NC1=C(C=C(C=C1)N1CCN(CC1)C)OC)C>>CC1=C(C(=CC(=C1)C)C)NC(=O)C1=CN(C(=C1)C1=NC(=NC=C1)NC1=C(C=C(C=C1)N1CCN(CC1)C)OC)C
5
O=C(CCCCCCCC(=O)OC)CCC=O>CO[H].C[O-].[Na+]>C(=O)(OC)CCCCCCC=1C(CCC1)=O
3
Cl.C[C@@H]1[C@H](C1)N.FC1=C(C=CC=C1)C(C=1C=C(C(=O)O)C=C(N1)C(NC)=O)O>CC#N.N(C)(C)C=O.CS(=O)C.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>FC1=C(C=CC=C1)C(C1=CC(=CC(=N1)C(=O)NC)C(=O)N[C@@H]1[C@H](C1)C)O
3
[OH:1][CH:2]([C:15]1[C:24]2[C:19](=[CH:20][CH:21]=[C:22]([O:25][CH3:26])[CH:23]=2)[N:18]=[CH:17][CH:16]=1)[CH2:3][CH2:4][C@@H:5]1[CH2:10][CH2:9][NH:8][CH2:7][C@@H:6]1[C:11]([O:13][CH3:14])=[O:12].C(=O)([O-])[O-].[K+].[K+].[I-].[K+].[CH2:35](Br)[C:36]#[CH:37]>C(#N)C>[OH:1][CH:2]([C:15]1[C:24]2[C:19](=[CH:20][CH:21]=[C:2...
1
C(C1=CC=CC=C1)Br.FC(C(C(=O)O)(C)O)(F)F>>FC(C(C(=O)OCC1=CC=CC=C1)(C)O)(F)F
5
COC(C1=CC=C(C=C1)\C=C\C(=O)OC(C)(C)C)=O>>C(C)(C)(C)OC(=O)[C@H]1[C@@H](C1)C1=CC=C(C(=O)OC)C=C1
5
Cl[C:2]1[C:11]2[CH2:10][CH2:9][CH2:8][CH2:7][C:6]=2[N:5]=[C:4]2[CH:12]=[N:13][NH:14][C:3]=12.[CH2:15]([NH2:19])[CH:16]([CH3:18])[CH3:17]>C1(C)C(C)=CC=CC=1>[CH2:15]([NH:19][C:2]1[C:11]2[CH2:10][CH2:9][CH2:8][CH2:7][C:6]=2[N:5]=[C:4]2[CH:12]=[N:13][NH:14][C:3]=12)[CH:16]([CH3:18])[CH3:17]
1
Br[C:2](=[CH2:7])[CH2:3][CH2:4][CH2:5][OH:6].[C:8]([C:10]1[CH:11]=[C:12](B(O)O)[CH:13]=[CH:14][CH:15]=1)#[N:9].C(=O)([O-])[O-].[K+].[K+]>O.C(COC)OC.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>[...
2
[F:1][C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][CH:11]=1)[CH:8]=[N:7][C:6]([NH:12][C:13](=[O:35])[O:14][CH2:15][C@@H:16]([N:21]([CH3:34])[C:22]([NH:24][CH2:25][C:26]1[CH:31]=[CH:30][CH:29]=[C:28]([F:32])[C:27]=1[Cl:33])=[O:23])[CH2:17][CH2:18][CH2:19][NH2:20])=[CH:5]2.CCN(C(C)C)C(C)C.[N:45]([CH2:48][C:49]([O:51][CH2:52][CH3:53]...
1
[S:1]1[CH:5]=[CH:4][CH:3]=[C:2]1[C:6](Cl)=[O:7].[NH2:9][C:10]1[CH:27]=[CH:26][C:13]([C:14]([C:16]2[CH:24]=[C:23]3[C:19]([CH2:20][C:21](=[O:25])[NH:22]3)=[CH:18][CH:17]=2)=[O:15])=[CH:12][CH:11]=1>C1COCC1>[O:25]=[C:21]1[CH2:20][C:19]2[C:23](=[CH:24][C:16]([C:14]([C:13]3[CH:12]=[CH:11][C:10]([NH:9][C:6]([C:2]4[S:1][CH:5]...
1
CC1=C2C=C(C=NC2=CC=C1)C(CN1N=C(C(=C1C(=O)OCC)C(F)(F)F)C(=O)OCC)=O>O.O(C(C)(C)C)C.C(C)(=O)OCC.C(C)(=O)O.C(C)(=O)[O-].[NH4+]>CC1=C2C=C(C=NC2=CC=C1)C=1NC(C=2N(C1)N=C(C2C(F)(F)F)C(=O)OCC)=O
3
BrC=1C=CC(=NC1)OCCOC.OC1=CC(=C(C(=C1)C)C=1N=C(SC1)NC(C1=CC=NC=C1)=O)C>N(C)(C)C=O.C(=O)([O-])[O-].[Cs+].[Cs+].[Cu]>COCCOC1=CC=C(C=N1)OC1=CC(=C(C(=C1)C)C=1N=C(SC1)NC(C1=CC=NC=C1)=O)C
3
[CH3:1][C:2]1[C:3]([CH2:8][N:9]([CH2:16][C:17]2[C:22]([CH3:23])=[CH:21][CH:20]=[CH:19][N:18]=2)[CH:10]2[CH2:15][CH2:14][NH:13][CH2:12][CH2:11]2)=[N:4][CH:5]=[CH:6][CH:7]=1.[N:24]1[CH:29]=[CH:28][CH:27]=[CH:26][C:25]=1[CH:30]=O.[BH-](OC(C)=O)(OC(C)=O)OC(C)=O.[Na+]>C(Cl)Cl>[CH3:1][C:2]1[C:3]([CH2:8][N:9]([CH2:16][C:17]2[...
1
[Cl:1][C:2]1[CH:3]=[C:4]([CH3:18])[C:5]([OH:17])=[C:6](/[CH:8]=[CH:9]/[C:10]([O:12][C:13]([CH3:16])([CH3:15])[CH3:14])=[O:11])[CH:7]=1.[NH2:19][OH:20].S([O-])([O-])(=O)=O.C([N+](CCCC)(CCCC)CCCC)CCC.C([N+](CCCC)(CCCC)CCCC)CCC>>[Cl:1][C:2]1[CH:3]=[C:4]([CH3:18])[C:5]([OH:17])=[C:6]([CH:8]([NH:19][OH:20])[CH2:9][C:10]([O:...
2
[CH3:1][O:2][CH2:3][C:4]1[N:8]2[C:9]3[C:14]([CH:15]=[CH:16][C:7]2=[CH:6][CH:5]=1)=[CH:13][CH:12]=[CH:11][CH:10]=3.C[Si](C)(C)[C:19]#[C:20]/C=C\C1C=CC2C(=CC=CC=2)N=1.[F-].[K+]>C(O)C=C>[CH2:1]([O:2][CH2:3][C:4]1[N:8]2[C:9]3[C:14]([CH:15]=[CH:16][C:7]2=[CH:6][CH:5]=1)=[CH:13][CH:12]=[CH:11][CH:10]=3)[CH:19]=[CH2:20]
2
ClC1=NC=CC(=N1)C=1C(=NN2C1C(=CC=C2)F)C=2C=C(C=CC2)NC(C(F)(F)F)=O>>ClC1=NC=CC(=N1)C=1C(=NN2C1C(=CC=C2)F)C=2C=C(N)C=CC2
5
COC=1C=C(C(=O)O)C=CC1>Cl.C(C)(=O)O.C=O>COC1=CC=C2COC(=O)C2=C1
3
C([O:3][C:4](=[O:39])[CH2:5][O:6][C:7]1[CH:12]=[CH:11][C:10]([S:13]([N:16]2[CH2:25][C:24]([CH3:27])([CH3:26])[C:23]3[C:18](=[CH:19][C:20]([C:28]4[CH:33]=[CH:32][C:31]([N:34]([CH3:36])[CH3:35])=[CH:30][CH:29]=4)=[CH:21][CH:22]=3)[CH:17]2[CH3:37])(=[O:15])=[O:14])=[CH:9][C:8]=1[CH3:38])C.[OH-].[Na+]>C(O)C>[CH3:38][C:8]1[...
2
[C:1]12([CH2:11][C:12](O)=[O:13])[CH2:10][CH:5]3[CH2:6][CH:7]([CH2:9][CH:3]([CH2:4]3)[CH2:2]1)[CH2:8]2.CCN=C=NCCCN(C)C.C(N(CC)CC)C.[S:33]1[CH:37]=[CH:36][CH:35]=[C:34]1[CH2:38][NH2:39]>C(Cl)Cl.CN(C1C=CN=CC=1)C>[C:1]12([CH2:11][C:12]([NH:39][CH2:38][C:34]3[S:33][CH:37]=[CH:36][CH:35]=3)=[O:13])[CH2:10][CH:5]3[CH2:6][CH:...
2
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.NCC=1C(NC(=CC1C)C)=O>>OC1=NC(=CC(=C1CNC(OC(C)(C)C)=O)C)C
5
[Si](C1=CC=CC=C1)(C1=CC=CC=C1)(C(C)(C)C)OC[C@H]1OC([C@](C1(O)C)(C)F)OC>>F[C@@]1(C([C@H](OC1OC)CO)(O)C)C
5
ClC1=C(C(=C(C=C1)CN(C(OC(C)(C)C)=O)N(C)C(=O)C1CC1)OC)F>ClCCl.Cl>ClC1=C(C(=C(C=C1)CNN(C(=O)C1CC1)C)OC)F
3
[N+:1]([C:4]1[CH:13]=[CH:12][CH:11]=[C:10]2[C:5]=1[CH:6]=[CH:7][N:8]=[CH:9]2)([O-:3])=[O:2].[C:14]1([CH3:25])[CH:19]=[CH:18][C:17]([S:20]([O:23]C)(=[O:22])=[O:21])=[CH:16][CH:15]=1>CN(C)C=O>[C:14]1([CH3:25])[CH:15]=[CH:16][C:17]([S:20]([O-:23])(=[O:21])=[O:22])=[CH:18][CH:19]=1.[N+:1]([C:4]1[CH:13]=[CH:12][CH:11]=[C:10...
1
C(C)(C)O.FC1=C2C(=NC=NC2=CC=C1)Cl.COC=1C=C(N)C=CC1OC1=CC=CC=C1>C(C)(C)N(C(C)C)CC>CN(CC(OC1=C2C(=NC=NC2=CC=C1)NC1=CC(=C(C=C1)OC1=CC=CC=C1)OC)C)C
3
[F:1][C:2]([F:14])([F:13])[C:3]1[CH:8]=[CH:7][C:6]([C:9]([NH2:12])([CH3:11])[CH3:10])=[CH:5][CH:4]=1.[F:15][C:16]1[CH:17]=[C:18]([CH:28]=[CH:29][C:30]=1[F:31])[C:19]([C:21](=[CH:24]N(C)C)[C:22]#[N:23])=[O:20]>>[F:15][C:16]1[CH:17]=[C:18]2[C:28](=[CH:29][C:30]=1[F:31])[N:12]([C:9]([C:6]1[CH:5]=[CH:4][C:3]([C:2]([F:13])(...
2
[CH3:1][C:2]1[C:7]([NH2:8])=[CH:6][CH:5]=[C:4]([CH3:9])[N:3]=1.[C:10](Cl)(Cl)=[S:11].C(N(C(C)C)C(C)C)C>C(Cl)Cl>[N:8]([C:7]1[C:2]([CH3:1])=[N:3][C:4]([CH3:9])=[CH:5][CH:6]=1)=[C:10]=[S:11]
1
C(C)C1=NC2=C(N1C)C=C(C=C2)N2C(C=C(C=C2)O)=O.FC(C1=CC(=CS1)CO)(F)F>C1CCCO1.c3c(P(c1ccccc1)c2ccccc2)cccc3.COCCOC(=O)N=NC(=O)OCCOC>C(C)C1=NC2=C(N1C)C=C(C=C2)N2C(C=C(C=C2)OCC2=CSC(=C2)C(F)(F)F)=O
3
COC1=NC=C(C=C1)OC1CCNCC1.BrC=1C=C2C(=NC1Cl)CCC2=O>N(C)(C)C=O.C(C)(C)N(C(C)C)CC>BrC=1C=C2C(=NC1N1CCC(CC1)OC=1C=NC(=CC1)OC)CCC2=O
3
CI.ClC=1C=NC=CC1C1=C(C=C(C(=C1)OC1CC1)[N+](=O)[O-])C>N(C)(C)C=O>[I-].ClC=1C=[N+](C=CC1C1=C(C=C(C(=C1)OC1CC1)[N+](=O)[O-])C)C
3
[F:1][C:2]1[CH:3]=[C:4]([CH2:9][C:10]([OH:12])=O)[CH:5]=[C:6]([F:8])[CH:7]=1.Cl.[C:14]([O:18][C:19](=[O:34])[C@H:20]([CH2:27][C:28]1[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=1)[NH:21][C:22](=[O:26])[C@H:23]([CH3:25])[NH2:24])([CH3:17])([CH3:16])[CH3:15].C(N[C@H](C(O)=O)C)(OC(C)(C)C)=O.Cl.C(OC(=O)[C@H](CC1C=CC=CC=1)N)(C)(C)...
1
[Br:1][C:2]1[CH:3]=[CH:4][C:5]([OH:10])=[C:6]([CH:9]=1)[C:7]#[N:8].[C:11]([O:15][K])(C)(C)C.[CH3:17]OCCl>CN(C=O)C>[Br:1][C:2]1[CH:3]=[C:4]([O:15][CH3:11])[C:5]([O:10][CH3:17])=[C:6]([CH:9]=1)[C:7]#[N:8]
2
C(N)(=O)C1=CC(=NC(=N1)C1=CC=C(C=C1)OC1=CC=C(C=C1)F)N1C(CN(CC1)C(=O)OC(C)(C)C)CO>CC#N.Cl.O1CCOCC1>FC1=CC=C(OC2=CC=C(C=C2)C2=NC(=CC(=N2)C(=O)N)N2C(CNCC2)CO)C=C1
3
O(C(C)C)C1=NC=C(C=C1)[N+](=O)[O-]>[Fe].C(C)(=O)O>O(C(C)C)C1=NC=C(C=C1)N
3
Cl.[NH2:2][C:3]1[C:4]([CH2:9]O)=[N:5][CH:6]=[CH:7][CH:8]=1.Cl.[NH2:12][CH2:13][CH2:14][SH:15].[BrH:16]>>[BrH:16].[BrH:16].[NH2:2][C:3]1[C:4]([CH2:9][S:15][CH2:14][CH2:13][NH2:12])=[N:5][CH:6]=[CH:7][CH:8]=1
1
[CH3:1][C:2]1([CH3:23])[CH2:7][CH2:6][N:5]([C:8]2[CH:13]=[N:12][C:11]([C:14]#[C:15][C:16]3[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=3)=[CH:10][N:9]=2)[C:4](=[O:22])[NH:3]1.[H-].[Na+].I[CH3:27]>CN(C=O)C>[CH3:27][N:3]1[C:2]([CH3:23])([CH3:1])[CH2:7][CH2:6][N:5]([C:8]2[CH:13]=[N:12][C:11]([C:14]#[C:15][C:16]3[CH:21]=[CH:20][C...
1
C(C)(C)(C)P(C1(C(=C(C=C(C1)C(C)C)C(C)C)C1=CC=CC=C1)C(C)C)C(C)(C)C.OC[C@H](CC(C)C)N1C(C2=CC=CC=C2C1=O)=O.ClC=1C=CC2=C(C1)OCC1=C(N=CC=C12)NC(C)=O>>O=C1N(C(C2=CC=CC=C12)=O)[C@H](COC=1C=CC2=C(C1)OCC1=C(N=CC=C12)NC(C)=O)CC(C)C
5
COC(=O)C1CN(CCC1C1=CC=C(C=C1)F)C>C1(=CC=CC=C1)C.[H-].COCCO[Al+]OCCOC.[Na+].[H-]>FC1=CC=C(C=C1)C1C(CN(CC1)C)CO
3
[CH3:1][C:2]1[N:7]=[C:6]([C:8]2[N:13]=[CH:12][C:11]3[CH:14]=[N:15][NH:16][C:10]=3[CH:9]=2)[CH:5]=[N:4][CH:3]=1.[H-].[Na+].[F:19][C:20]1[C:25]([C:26]([F:29])([F:28])[F:27])=[CH:24][CH:23]=[C:22](F)[N:21]=1>CN(C)C=O>[F:19][C:20]1[N:21]=[C:22]([N:16]2[C:10]3[CH:9]=[C:8]([C:6]4[CH:5]=[N:4][CH:3]=[C:2]([CH3:1])[N:7]=4)[N:13...
1
[NH:1]([C:9]([O:11][C:12]([CH3:15])([CH3:14])[CH3:13])=[O:10])[C@H:2]([C:6]([OH:8])=O)[CH:3]([CH3:5])[CH3:4].C1(C)C=CC(S(O)(=O)=O)=CC=1.[CH2:27]([O:34][C:35](=[O:41])[C@H:36]([CH:38]([CH3:40])[CH3:39])[NH2:37])[C:28]1[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=1>>[CH2:27]([O:34][C:35](=[O:41])[C@H:36]([CH:38]([CH3:39])[CH3:4...
1