← Browse datasets![[Br:1][C:2]1[CH:7]=[C:6]([Br:8])[N:5]=[C:4]([C:9]([O:11][CH3:12])=[O:10])[C:3]=1[O:13][CH3:14]](/api/mol/svg?smiles=%5BBr%3A1%5D%5BC%3A2%5D1%5BCH%3A7%5D%3D%5BC%3A6%5D(%5BBr%3A8%5D)%5BN%3A5%5D%3D%5BC%3A4%5D(%5BC%3A9%5D(%5BO%3A11%5D%5BCH3%3A12%5D)%3D%5BO%3A10%5D)%5BC%3A3%5D%3D1%5BO%3A13%5D%5BCH3%3A14%5D&w=100&h=80)
[N:5]=[C:4]([C:9]([O:11][CH3:12])=[O:10])[C:3]=1[O:13][CH3:14])=[N+:16]=[N-:17]](/api/mol/svg?smiles=%5BN%3A15%5D(%5BC%3A2%5D1%5BCH%3A7%5D%3D%5BC%3A6%5D(%5BBr%3A8%5D)%5BN%3A5%5D%3D%5BC%3A4%5D(%5BC%3A9%5D(%5BO%3A11%5D%5BCH3%3A12%5D)%3D%5BO%3A10%5D)%5BC%3A3%5D%3D1%5BO%3A13%5D%5BCH3%3A14%5D)%3D%5BN%2B%3A16%5D%3D%5BN-%3A17%5D&w=100&h=80)
![[NH2:1][C:4]1[CH:9]=[C:8]([Br:10])[N:7]=[C:6]([C:11]([O:13][CH3:14])=[O:12])[C:5]=1[O:15][CH3:16]](/api/mol/svg?smiles=%5BNH2%3A1%5D%5BC%3A4%5D1%5BCH%3A9%5D%3D%5BC%3A8%5D(%5BBr%3A10%5D)%5BN%3A7%5D%3D%5BC%3A6%5D(%5BC%3A11%5D(%5BO%3A13%5D%5BCH3%3A14%5D)%3D%5BO%3A12%5D)%5BC%3A5%5D%3D1%5BO%3A15%5D%5BCH3%3A16%5D&w=100&h=80)
![[NH2:1][C:2]1[CH:7]=[C:6]([Br:8])[N:5]=[C:4]([C:9]([OH:11])=[O:10])[C:3]=1[O:13][CH3:14]](/api/mol/svg?smiles=%5BNH2%3A1%5D%5BC%3A2%5D1%5BCH%3A7%5D%3D%5BC%3A6%5D(%5BBr%3A8%5D)%5BN%3A5%5D%3D%5BC%3A4%5D(%5BC%3A9%5D(%5BOH%3A11%5D)%3D%5BO%3A10%5D)%5BC%3A3%5D%3D1%5BO%3A13%5D%5BCH3%3A14%5D&w=100&h=80)
![[NH2:1][C:2]1[C:7]([Cl:18])=[C:6]([Br:8])[N:5]=[C:4]([C:9]([O:11][CH3:12])=[O:10])[C:3]=1[O:13][CH3:14]](/api/mol/svg?smiles=%5BNH2%3A1%5D%5BC%3A2%5D1%5BC%3A7%5D(%5BCl%3A18%5D)%3D%5BC%3A6%5D(%5BBr%3A8%5D)%5BN%3A5%5D%3D%5BC%3A4%5D(%5BC%3A9%5D(%5BO%3A11%5D%5BCH3%3A12%5D)%3D%5BO%3A10%5D)%5BC%3A3%5D%3D1%5BO%3A13%5D%5BCH3%3A14%5D&w=100&h=80)
![[NH2:13][C:9]1[C:8]([Cl:14])=[C:7]([Br:15])[N:6]=[C:5]([C:3]([OH:4])=[O:2])[C:10]=1[O:11][CH3:12]](/api/mol/svg?smiles=%5BNH2%3A13%5D%5BC%3A9%5D1%5BC%3A8%5D(%5BCl%3A14%5D)%3D%5BC%3A7%5D(%5BBr%3A15%5D)%5BN%3A6%5D%3D%5BC%3A5%5D(%5BC%3A3%5D(%5BOH%3A4%5D)%3D%5BO%3A2%5D)%5BC%3A10%5D%3D1%5BO%3A11%5D%5BCH3%3A12%5D&w=100&h=80)
![[NH2:14][C:2]1[C:7]([Cl:8])=[C:6]([Cl:9])[N:5]=[C:4]([C:10]([Cl:13])([Cl:12])[Cl:11])[CH:3]=1](/api/mol/svg?smiles=%5BNH2%3A14%5D%5BC%3A2%5D1%5BC%3A7%5D(%5BCl%3A8%5D)%3D%5BC%3A6%5D(%5BCl%3A9%5D)%5BN%3A5%5D%3D%5BC%3A4%5D(%5BC%3A10%5D(%5BCl%3A13%5D)(%5BCl%3A12%5D)%5BCl%3A11%5D)%5BCH%3A3%5D%3D1&w=100&h=80)
![[Br:1][C:2]1[C:3]([C:9]([O:11][CH3:13])=[O:10])=[N:4][CH:5]=[CH:6][C:7]=1[Cl:8]](/api/mol/svg?smiles=%5BBr%3A1%5D%5BC%3A2%5D1%5BC%3A3%5D(%5BC%3A9%5D(%5BO%3A11%5D%5BCH3%3A13%5D)%3D%5BO%3A10%5D)%3D%5BN%3A4%5D%5BCH%3A5%5D%3D%5BCH%3A6%5D%5BC%3A7%5D%3D1%5BCl%3A8%5D&w=100&h=80)
![[NH2:14][C:7]1[CH:6]=[C:5]([Cl:9])[N:4]=[C:3]([C:10]([OH:12])=[O:11])[C:2]=1[Br:1]](/api/mol/svg?smiles=%5BNH2%3A14%5D%5BC%3A7%5D1%5BCH%3A6%5D%3D%5BC%3A5%5D(%5BCl%3A9%5D)%5BN%3A4%5D%3D%5BC%3A3%5D(%5BC%3A10%5D(%5BOH%3A12%5D)%3D%5BO%3A11%5D)%5BC%3A2%5D%3D1%5BBr%3A1%5D&w=100&h=80)
![[NH2:16][C:2]1[CH:7]=[C:6]([C:8]([F:11])([F:10])[F:9])[N:5]=[C:4]([C:12]([O:14][CH3:15])=[O:13])[CH:3]=1](/api/mol/svg?smiles=%5BNH2%3A16%5D%5BC%3A2%5D1%5BCH%3A7%5D%3D%5BC%3A6%5D(%5BC%3A8%5D(%5BF%3A11%5D)(%5BF%3A10%5D)%5BF%3A9%5D)%5BN%3A5%5D%3D%5BC%3A4%5D(%5BC%3A12%5D(%5BO%3A14%5D%5BCH3%3A15%5D)%3D%5BO%3A13%5D)%5BCH%3A3%5D%3D1&w=100&h=80)
![[NH2:11][C:9]1[CH:8]=[C:7]([C:12]([F:15])([F:14])[F:13])[N:6]=[C:5]([C:3]([OH:2])=[O:4])[C:10]=1[Cl:19]](/api/mol/svg?smiles=%5BNH2%3A11%5D%5BC%3A9%5D1%5BCH%3A8%5D%3D%5BC%3A7%5D(%5BC%3A12%5D(%5BF%3A15%5D)(%5BF%3A14%5D)%5BF%3A13%5D)%5BN%3A6%5D%3D%5BC%3A5%5D(%5BC%3A3%5D(%5BOH%3A2%5D)%3D%5BO%3A4%5D)%5BC%3A10%5D%3D1%5BCl%3A19%5D&w=100&h=80)
![[Cl:17][C:18]1[CH:23]=[CH:22][C:21]([O:16][C:11]2[CH:10]=[C:9]([Cl:8])[CH:14]=[C:13]([Cl:15])[CH:12]=2)=[N+:20]([O-:25])[C:19]=1[C:26]([O:28][CH3:29])=[O:27]](/api/mol/svg?smiles=%5BCl%3A17%5D%5BC%3A18%5D1%5BCH%3A23%5D%3D%5BCH%3A22%5D%5BC%3A21%5D(%5BO%3A16%5D%5BC%3A11%5D2%5BCH%3A10%5D%3D%5BC%3A9%5D(%5BCl%3A8%5D)%5BCH%3A14%5D%3D%5BC%3A13%5D(%5BCl%3A15%5D)%5BCH%3A12%5D%3D2)%3D%5BN%2B%3A20%5D(%5BO-%3A25%5D)%5BC%3A19%5D%3D1%5BC%3A26%5D(%5BO%3A28%5D%5BCH3%3A29%5D)%3D%5BO%3A27%5D&w=100&h=80)
![[NH2:22][C:3]1[CH:2]=[C:7]([O:8][C:9]2[CH:14]=[C:13]([Cl:15])[CH:12]=[C:11]([Cl:16])[CH:10]=2)[N:6]=[C:29]([C:28]([O:31][CH3:32])=[O:30])[C:4]=1[Cl:20]](/api/mol/svg?smiles=%5BNH2%3A22%5D%5BC%3A3%5D1%5BCH%3A2%5D%3D%5BC%3A7%5D(%5BO%3A8%5D%5BC%3A9%5D2%5BCH%3A14%5D%3D%5BC%3A13%5D(%5BCl%3A15%5D)%5BCH%3A12%5D%3D%5BC%3A11%5D(%5BCl%3A16%5D)%5BCH%3A10%5D%3D2)%5BN%3A6%5D%3D%5BC%3A29%5D(%5BC%3A28%5D(%5BO%3A31%5D%5BCH3%3A32%5D)%3D%5BO%3A30%5D)%5BC%3A4%5D%3D1%5BCl%3A20%5D&w=100&h=80)
![[NH2:21][C:3]1[CH:2]=[C:7]([O:8][C:9]2[CH:10]=[C:11]([Cl:16])[CH:12]=[C:13]([Cl:15])[CH:14]=2)[N:6]=[C:5]([C:17]([OH:19])=[O:18])[C:4]=1[Cl:20]](/api/mol/svg?smiles=%5BNH2%3A21%5D%5BC%3A3%5D1%5BCH%3A2%5D%3D%5BC%3A7%5D(%5BO%3A8%5D%5BC%3A9%5D2%5BCH%3A10%5D%3D%5BC%3A11%5D(%5BCl%3A16%5D)%5BCH%3A12%5D%3D%5BC%3A13%5D(%5BCl%3A15%5D)%5BCH%3A14%5D%3D2)%5BN%3A6%5D%3D%5BC%3A5%5D(%5BC%3A17%5D(%5BOH%3A19%5D)%3D%5BO%3A18%5D)%5BC%3A4%5D%3D1%5BCl%3A20%5D&w=100&h=80)
![[NH2:1][C:2]1[C:7]([Cl:8])=[C:6]([O:20][C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=2)[N:5]=[C:4]([C:10]([O:12][CH3:23])=[O:11])[C:3]=1[Cl:13]](/api/mol/svg?smiles=%5BNH2%3A1%5D%5BC%3A2%5D1%5BC%3A7%5D(%5BCl%3A8%5D)%3D%5BC%3A6%5D(%5BO%3A20%5D%5BC%3A14%5D2%5BCH%3A19%5D%3D%5BCH%3A18%5D%5BCH%3A17%5D%3D%5BCH%3A16%5D%5BCH%3A15%5D%3D2)%5BN%3A5%5D%3D%5BC%3A4%5D(%5BC%3A10%5D(%5BO%3A12%5D%5BCH3%3A23%5D)%3D%5BO%3A11%5D)%5BC%3A3%5D%3D1%5BCl%3A13%5D&w=100&h=80)
![[NH2:1][C:2]1[C:7]([Cl:8])=[C:6]([O:9][C:10]2[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=2)[N:5]=[C:4]([C:16]([OH:18])=[O:17])[C:3]=1[Cl:20]](/api/mol/svg?smiles=%5BNH2%3A1%5D%5BC%3A2%5D1%5BC%3A7%5D(%5BCl%3A8%5D)%3D%5BC%3A6%5D(%5BO%3A9%5D%5BC%3A10%5D2%5BCH%3A15%5D%3D%5BCH%3A14%5D%5BCH%3A13%5D%3D%5BCH%3A12%5D%5BCH%3A11%5D%3D2)%5BN%3A5%5D%3D%5BC%3A4%5D(%5BC%3A16%5D(%5BOH%3A18%5D)%3D%5BO%3A17%5D)%5BC%3A3%5D%3D1%5BCl%3A20%5D&w=100&h=80)
![[NH2:1][C:2]1[C:7]([F:21])=[C:6]([O:8][C:9]2[CH:14]=[CH:13][C:12]([Cl:15])=[C:11]([Cl:16])[CH:10]=2)[N:5]=[C:4]([C:17]([OH:19])=[O:18])[C:3]=1[Cl:20]](/api/mol/svg?smiles=%5BNH2%3A1%5D%5BC%3A2%5D1%5BC%3A7%5D(%5BF%3A21%5D)%3D%5BC%3A6%5D(%5BO%3A8%5D%5BC%3A9%5D2%5BCH%3A14%5D%3D%5BCH%3A13%5D%5BC%3A12%5D(%5BCl%3A15%5D)%3D%5BC%3A11%5D(%5BCl%3A16%5D)%5BCH%3A10%5D%3D2)%5BN%3A5%5D%3D%5BC%3A4%5D(%5BC%3A17%5D(%5BOH%3A19%5D)%3D%5BO%3A18%5D)%5BC%3A3%5D%3D1%5BCl%3A20%5D&w=100&h=80)
![[CH:1]1([C:4]2[O:24][N:26]=[C:19]([S:20][CH3:21])[C:5]=2[C:6](=[O:7])[C:8]2[CH:13]=[CH:12][C:11]([S:14]([CH3:17])(=[O:16])=[O:15])=[CH:10][C:9]=2[Cl:18])[CH2:3][CH2:2]1](/api/mol/svg?smiles=%5BCH%3A1%5D1(%5BC%3A4%5D2%5BO%3A24%5D%5BN%3A26%5D%3D%5BC%3A19%5D(%5BS%3A20%5D%5BCH3%3A21%5D)%5BC%3A5%5D%3D2%5BC%3A6%5D(%3D%5BO%3A7%5D)%5BC%3A8%5D2%5BCH%3A13%5D%3D%5BCH%3A12%5D%5BC%3A11%5D(%5BS%3A14%5D(%5BCH3%3A17%5D)(%3D%5BO%3A16%5D)%3D%5BO%3A15%5D)%3D%5BCH%3A10%5D%5BC%3A9%5D%3D2%5BCl%3A18%5D)%5BCH2%3A3%5D%5BCH2%3A2%5D1&w=100&h=80)
![[CH:1]1([C:4]2[O:8][N:7]=[C:6]([S:9]([CH3:10])=[O:32])[C:5]=2[C:11](=[O:23])[C:12]2[CH:17]=[CH:16][C:15]([S:18]([CH3:21])(=[O:19])=[O:20])=[CH:14][C:13]=2[CH3:22])[CH2:3][CH2:2]1](/api/mol/svg?smiles=%5BCH%3A1%5D1(%5BC%3A4%5D2%5BO%3A8%5D%5BN%3A7%5D%3D%5BC%3A6%5D(%5BS%3A9%5D(%5BCH3%3A10%5D)%3D%5BO%3A32%5D)%5BC%3A5%5D%3D2%5BC%3A11%5D(%3D%5BO%3A23%5D)%5BC%3A12%5D2%5BCH%3A17%5D%3D%5BCH%3A16%5D%5BC%3A15%5D(%5BS%3A18%5D(%5BCH3%3A21%5D)(%3D%5BO%3A19%5D)%3D%5BO%3A20%5D)%3D%5BCH%3A14%5D%5BC%3A13%5D%3D2%5BCH3%3A22%5D)%5BCH2%3A3%5D%5BCH2%3A2%5D1&w=100&h=80)
![[CH3:3][C:4]1[CH:9]=[CH:8][C:7]([CH3:10])=[CH:6][C:5]=1[S:11][CH2:13][CH2:14][C:15]([OH:17])=[O:16]](/api/mol/svg?smiles=%5BCH3%3A3%5D%5BC%3A4%5D1%5BCH%3A9%5D%3D%5BCH%3A8%5D%5BC%3A7%5D(%5BCH3%3A10%5D)%3D%5BCH%3A6%5D%5BC%3A5%5D%3D1%5BS%3A11%5D%5BCH2%3A13%5D%5BCH2%3A14%5D%5BC%3A15%5D(%5BOH%3A17%5D)%3D%5BO%3A16%5D&w=100&h=80)
Dataset #93
Reaction #465970
DOI: 10.6084/m9.figshare.5104873.v1
Reaction #465971
Yield 57.7%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #465972
Yield 66.0%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #465973
Yield 63.4%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #465974
DOI: 10.6084/m9.figshare.5104873.v1
Reaction #465975
Yield 80.1%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #465976
Yield 69.2%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #465977
DOI: 10.6084/m9.figshare.5104873.v1
Reaction #465978
Yield 27.3%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #465979
DOI: 10.6084/m9.figshare.5104873.v1
Reaction #465980
Yield 24.5%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #465981
Yield 76.5%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #465982
DOI: 10.6084/m9.figshare.5104873.v1
Reaction #465983
Yield 56.5%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #465984
Yield 14.0%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #465985
Yield 90.0%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #465986
DOI: 10.6084/m9.figshare.5104873.v1
Reaction #465987
Yield 79.6%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #465988
Yield 55.8%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #465989
DOI: 10.6084/m9.figshare.5104873.v1