← 浏览数据集![[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([OH:11])=[C:6]([CH:10]=1)[C:7]([NH:12][C:13]1[CH:20]=[CH:19][CH:18]=[C:15]([C:16]#[N:17])[CH:14]=1)=[O:9]](/api/mol/svg?smiles=%5BCl%3A1%5D%5BC%3A2%5D1%5BCH%3A3%5D%3D%5BCH%3A4%5D%5BC%3A5%5D(%5BOH%3A11%5D)%3D%5BC%3A6%5D(%5BCH%3A10%5D%3D1)%5BC%3A7%5D(%5BNH%3A12%5D%5BC%3A13%5D1%5BCH%3A20%5D%3D%5BCH%3A19%5D%5BCH%3A18%5D%3D%5BC%3A15%5D(%5BC%3A16%5D%23%5BN%3A17%5D)%5BCH%3A14%5D%3D1)%3D%5BO%3A9%5D&w=100&h=80)
![[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([OH:11])=[C:6]([CH:10]=1)[C:7]([NH:19][C:18]1[CH:20]=[CH:21][CH:22]=[C:16]([C:12]([CH3:15])([CH3:14])[CH3:13])[CH:17]=1)=[O:9]](/api/mol/svg?smiles=%5BCl%3A1%5D%5BC%3A2%5D1%5BCH%3A3%5D%3D%5BCH%3A4%5D%5BC%3A5%5D(%5BOH%3A11%5D)%3D%5BC%3A6%5D(%5BCH%3A10%5D%3D1)%5BC%3A7%5D(%5BNH%3A19%5D%5BC%3A18%5D1%5BCH%3A20%5D%3D%5BCH%3A21%5D%5BCH%3A22%5D%3D%5BC%3A16%5D(%5BC%3A12%5D(%5BCH3%3A15%5D)(%5BCH3%3A14%5D)%5BCH3%3A13%5D)%5BCH%3A17%5D%3D1)%3D%5BO%3A9%5D&w=100&h=80)
=[CH:20][C:6]=1[C:7](=[O:8])[NH:9][C:10]1[CH:15]=[CH:14][C:13]([N+:16]([O-:18])=[O:17])=[CH:12][C:11]=1[Cl:19])(=[O:29])[C:23]1[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=1](/api/mol/svg?smiles=%5BC%3A22%5D(%5BO%3A21%5D%5BC%3A5%5D1%5BCH%3A4%5D%3D%5BCH%3A3%5D%5BC%3A2%5D(%5BCl%3A1%5D)%3D%5BCH%3A20%5D%5BC%3A6%5D%3D1%5BC%3A7%5D(%3D%5BO%3A8%5D)%5BNH%3A9%5D%5BC%3A10%5D1%5BCH%3A15%5D%3D%5BCH%3A14%5D%5BC%3A13%5D(%5BN%2B%3A16%5D(%5BO-%3A18%5D)%3D%5BO%3A17%5D)%3D%5BCH%3A12%5D%5BC%3A11%5D%3D1%5BCl%3A19%5D)(%3D%5BO%3A29%5D)%5BC%3A23%5D1%5BCH%3A28%5D%3D%5BCH%3A27%5D%5BCH%3A26%5D%3D%5BCH%3A25%5D%5BCH%3A24%5D%3D1&w=100&h=80)
![[CH3:1][C:2]1([CH3:12])[O:6][C@H:5]([CH2:7][C:8]([O:10][C:28]2[CH:27]=[CH:26][C:25]([Cl:24])=[CH:43][C:29]=2[C:30](=[O:31])[NH:32][C:33]2[CH:38]=[CH:37][C:36]([N+:39]([O-:41])=[O:40])=[CH:35][C:34]=2[Cl:42])=[O:9])[C:4](=[O:11])[O:3]1](/api/mol/svg?smiles=%5BCH3%3A1%5D%5BC%3A2%5D1(%5BCH3%3A12%5D)%5BO%3A6%5D%5BC%40H%3A5%5D(%5BCH2%3A7%5D%5BC%3A8%5D(%5BO%3A10%5D%5BC%3A28%5D2%5BCH%3A27%5D%3D%5BCH%3A26%5D%5BC%3A25%5D(%5BCl%3A24%5D)%3D%5BCH%3A43%5D%5BC%3A29%5D%3D2%5BC%3A30%5D(%3D%5BO%3A31%5D)%5BNH%3A32%5D%5BC%3A33%5D2%5BCH%3A38%5D%3D%5BCH%3A37%5D%5BC%3A36%5D(%5BN%2B%3A39%5D(%5BO-%3A41%5D)%3D%5BO%3A40%5D)%3D%5BCH%3A35%5D%5BC%3A34%5D%3D2%5BCl%3A42%5D)%3D%5BO%3A9%5D)%5BC%3A4%5D(%3D%5BO%3A11%5D)%5BO%3A3%5D1&w=100&h=80)
![[Cl:36][C:10]([N:1]1[CH2:5][CH2:4][CH2:3][C@H:2]1[C:6]([O:8][CH3:9])=[O:7])=[O:12]](/api/mol/svg?smiles=%5BCl%3A36%5D%5BC%3A10%5D(%5BN%3A1%5D1%5BCH2%3A5%5D%5BCH2%3A4%5D%5BCH2%3A3%5D%5BC%40H%3A2%5D1%5BC%3A6%5D(%5BO%3A8%5D%5BCH3%3A9%5D)%3D%5BO%3A7%5D)%3D%5BO%3A12%5D&w=100&h=80)
![[Cl:53][C:54]([N:32]1[CH2:36][CH2:35][CH2:34][C@H:33]1[C:37]([O:39][C:40]([CH3:43])([CH3:42])[CH3:41])=[O:38])=[O:57]](/api/mol/svg?smiles=%5BCl%3A53%5D%5BC%3A54%5D(%5BN%3A32%5D1%5BCH2%3A36%5D%5BCH2%3A35%5D%5BCH2%3A34%5D%5BC%40H%3A33%5D1%5BC%3A37%5D(%5BO%3A39%5D%5BC%3A40%5D(%5BCH3%3A43%5D)(%5BCH3%3A42%5D)%5BCH3%3A41%5D)%3D%5BO%3A38%5D)%3D%5BO%3A57%5D&w=100&h=80)
![[OH:23][C:6]1[CH:7]=[N:8][C:9]([C:12]2[CH:13]=[C:14]([CH:19]=[CH:20][CH:21]=2)[C:15]([OH:17])=[O:16])=[N:10][CH:11]=1](/api/mol/svg?smiles=%5BOH%3A23%5D%5BC%3A6%5D1%5BCH%3A7%5D%3D%5BN%3A8%5D%5BC%3A9%5D(%5BC%3A12%5D2%5BCH%3A13%5D%3D%5BC%3A14%5D(%5BCH%3A19%5D%3D%5BCH%3A20%5D%5BCH%3A21%5D%3D2)%5BC%3A15%5D(%5BOH%3A17%5D)%3D%5BO%3A16%5D)%3D%5BN%3A10%5D%5BCH%3A11%5D%3D1&w=100&h=80)
![[OH:1][C:2]1[CH:7]=[N:6][C:5]([C:8]2[CH:9]=[C:10]([CH:14]=[CH:15][CH:16]=2)[C:11]([O:13][CH3:21])=[O:12])=[N:4][CH:3]=1](/api/mol/svg?smiles=%5BOH%3A1%5D%5BC%3A2%5D1%5BCH%3A7%5D%3D%5BN%3A6%5D%5BC%3A5%5D(%5BC%3A8%5D2%5BCH%3A9%5D%3D%5BC%3A10%5D(%5BCH%3A14%5D%3D%5BCH%3A15%5D%5BCH%3A16%5D%3D2)%5BC%3A11%5D(%5BO%3A13%5D%5BCH3%3A21%5D)%3D%5BO%3A12%5D)%3D%5BN%3A4%5D%5BCH%3A3%5D%3D1&w=100&h=80)
![[N:23]1[C:28]2[O:29][CH2:30][CH2:31][O:32][C:27]=2[CH:26]=[C:25]([CH2:33][NH:1][C@H:2]2[CH2:7][O:6][C@H:5]([C@@H:8]([OH:22])[CH2:9][C:10]3[C:19]4[C:14](=[CH:15][CH:16]=[C:17]([O:20][CH3:21])[N:18]=4)[N:13]=[CH:12][CH:11]=3)[CH2:4][CH2:3]2)[N:24]=1](/api/mol/svg?smiles=%5BN%3A23%5D1%5BC%3A28%5D2%5BO%3A29%5D%5BCH2%3A30%5D%5BCH2%3A31%5D%5BO%3A32%5D%5BC%3A27%5D%3D2%5BCH%3A26%5D%3D%5BC%3A25%5D(%5BCH2%3A33%5D%5BNH%3A1%5D%5BC%40H%3A2%5D2%5BCH2%3A7%5D%5BO%3A6%5D%5BC%40H%3A5%5D(%5BC%40%40H%3A8%5D(%5BOH%3A22%5D)%5BCH2%3A9%5D%5BC%3A10%5D3%5BC%3A19%5D4%5BC%3A14%5D(%3D%5BCH%3A15%5D%5BCH%3A16%5D%3D%5BC%3A17%5D(%5BO%3A20%5D%5BCH3%3A21%5D)%5BN%3A18%5D%3D4)%5BN%3A13%5D%3D%5BCH%3A12%5D%5BCH%3A11%5D%3D3)%5BCH2%3A4%5D%5BCH2%3A3%5D2)%5BN%3A24%5D%3D1&w=100&h=80)
[NH:22][C@@H:23]1[CH2:28][CH2:27][C@@H:26](/[CH:29]=[CH:12]/[C:11]2[C:2]([F:1])=[CH:3][CH:4]=[C:5]3[C:10]=2[N:9]=[C:8]([O:14][CH3:15])[CH:7]=[CH:6]3)[O:25][CH2:24]1)([CH3:19])([CH3:17])[CH3:18]](/api/mol/svg?smiles=%5BC%3A16%5D(%5BO%3A20%5D%5BC%3A21%5D(%3D%5BO%3A44%5D)%5BNH%3A22%5D%5BC%40%40H%3A23%5D1%5BCH2%3A28%5D%5BCH2%3A27%5D%5BC%40%40H%3A26%5D(%2F%5BCH%3A29%5D%3D%5BCH%3A12%5D%2F%5BC%3A11%5D2%5BC%3A2%5D(%5BF%3A1%5D)%3D%5BCH%3A3%5D%5BCH%3A4%5D%3D%5BC%3A5%5D3%5BC%3A10%5D%3D2%5BN%3A9%5D%3D%5BC%3A8%5D(%5BO%3A14%5D%5BCH3%3A15%5D)%5BCH%3A7%5D%3D%5BCH%3A6%5D3)%5BO%3A25%5D%5BCH2%3A24%5D1)(%5BCH3%3A19%5D)(%5BCH3%3A17%5D)%5BCH3%3A18%5D&w=100&h=80)
![[S:1]1[C:10]2[C:5](=[CH:6][N:7]=[C:8]([CH2:11][O:12][S:14]([CH3:13])(=[O:16])=[O:15])[CH:9]=2)[O:4][CH2:3][CH2:2]1](/api/mol/svg?smiles=%5BS%3A1%5D1%5BC%3A10%5D2%5BC%3A5%5D(%3D%5BCH%3A6%5D%5BN%3A7%5D%3D%5BC%3A8%5D(%5BCH2%3A11%5D%5BO%3A12%5D%5BS%3A14%5D(%5BCH3%3A13%5D)(%3D%5BO%3A16%5D)%3D%5BO%3A15%5D)%5BCH%3A9%5D%3D2)%5BO%3A4%5D%5BCH2%3A3%5D%5BCH2%3A2%5D1&w=100&h=80)
![[Cl:6][C:7]1[C:16]([O:17][CH3:18])=[N:15][C:14]2[C:13]([CH:23]=[O:24])=[C:12]([F:19])[CH:11]=[CH:10][C:9]=2[N:8]=1](/api/mol/svg?smiles=%5BCl%3A6%5D%5BC%3A7%5D1%5BC%3A16%5D(%5BO%3A17%5D%5BCH3%3A18%5D)%3D%5BN%3A15%5D%5BC%3A14%5D2%5BC%3A13%5D(%5BCH%3A23%5D%3D%5BO%3A24%5D)%3D%5BC%3A12%5D(%5BF%3A19%5D)%5BCH%3A11%5D%3D%5BCH%3A10%5D%5BC%3A9%5D%3D2%5BN%3A8%5D%3D1&w=100&h=80)
![[O:1]1[C:10]2[CH:9]=[C:8]([C:11]([OH:14])=[O:12])[N:7]=[CH:6][C:5]=2[O:4][CH2:3][CH2:2]1](/api/mol/svg?smiles=%5BO%3A1%5D1%5BC%3A10%5D2%5BCH%3A9%5D%3D%5BC%3A8%5D(%5BC%3A11%5D(%5BOH%3A14%5D)%3D%5BO%3A12%5D)%5BN%3A7%5D%3D%5BCH%3A6%5D%5BC%3A5%5D%3D2%5BO%3A4%5D%5BCH2%3A3%5D%5BCH2%3A2%5D1&w=100&h=80)
![[CH:1]1([CH2:7][N:9]=[N+:10]=[N-:11])[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1](/api/mol/svg?smiles=%5BCH%3A1%5D1(%5BCH2%3A7%5D%5BN%3A9%5D%3D%5BN%2B%3A10%5D%3D%5BN-%3A11%5D)%5BCH2%3A6%5D%5BCH2%3A5%5D%5BCH2%3A4%5D%5BCH2%3A3%5D%5BCH2%3A2%5D1&w=100&h=80)
![[CH:1]1([N:8]=[N+:9]=[N-:10])[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1](/api/mol/svg?smiles=%5BCH%3A1%5D1(%5BN%3A8%5D%3D%5BN%2B%3A9%5D%3D%5BN-%3A10%5D)%5BCH2%3A6%5D%5BCH2%3A5%5D%5BCH2%3A4%5D%5BCH2%3A3%5D%5BCH2%3A2%5D1&w=100&h=80)
=[N+:9]=[N-:10]](/api/mol/svg?smiles=%5BN%3A8%5D(%5BCH%3A6%5D1%5BCH2%3A5%5D%5BCH2%3A4%5D%5BCH2%3A3%5D%5BCH2%3A2%5D%5BCH%3A1%5D1%5BOH%3A7%5D)%3D%5BN%2B%3A9%5D%3D%5BN-%3A10%5D&w=100&h=80)
![[F:12][C:9]1([F:13])[CH2:10][CH2:11][CH:6]([CH2:4][OH:3])[CH2:7][CH2:8]1](/api/mol/svg?smiles=%5BF%3A12%5D%5BC%3A9%5D1(%5BF%3A13%5D)%5BCH2%3A10%5D%5BCH2%3A11%5D%5BCH%3A6%5D(%5BCH2%3A4%5D%5BOH%3A3%5D)%5BCH2%3A7%5D%5BCH2%3A8%5D1&w=100&h=80)
([F:1])[CH2:3][CH2:4]1)=[N+:22]=[N-:23]](/api/mol/svg?smiles=%5BN%3A21%5D(%5BCH2%3A8%5D%5BCH%3A5%5D1%5BCH2%3A6%5D%5BCH2%3A7%5D%5BC%3A2%5D(%5BF%3A20%5D)(%5BF%3A1%5D)%5BCH2%3A3%5D%5BCH2%3A4%5D1)%3D%5BN%2B%3A22%5D%3D%5BN-%3A23%5D&w=100&h=80)
[CH2:4][O:5][S:22]([C:19]1[CH:20]=[CH:21][C:16]([CH3:26])=[CH:17][CH:18]=1)(=[O:24])=[O:23])[CH3:2]](/api/mol/svg?smiles=%5BCH2%3A1%5D(%5BCH%3A3%5D(%5BCH2%3A6%5D%5BCH3%3A7%5D)%5BCH2%3A4%5D%5BO%3A5%5D%5BS%3A22%5D(%5BC%3A19%5D1%5BCH%3A20%5D%3D%5BCH%3A21%5D%5BC%3A16%5D(%5BCH3%3A26%5D)%3D%5BCH%3A17%5D%5BCH%3A18%5D%3D1)(%3D%5BO%3A24%5D)%3D%5BO%3A23%5D)%5BCH3%3A2%5D&w=100&h=80)
[N:1]=[CH:2]1)[C:15]1[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1](/api/mol/svg?smiles=%5BCH2%3A14%5D(%5BN%3A3%5D1%5BCH%3A4%5D%3D%5BC%3A5%5D(%5BCH%3A8%5D%3D%5BO%3A11%5D)%5BN%3A1%5D%3D%5BCH%3A2%5D1)%5BC%3A15%5D1%5BCH%3A20%5D%3D%5BCH%3A19%5D%5BCH%3A18%5D%3D%5BCH%3A17%5D%5BCH%3A16%5D%3D1&w=100&h=80)
Dataset #345
反应 #1597020
DOI: 10.6084/m9.figshare.5104873.v1
反应 #1597021
DOI: 10.6084/m9.figshare.5104873.v1
反应 #1597022
DOI: 10.6084/m9.figshare.5104873.v1
反应 #1597023
DOI: 10.6084/m9.figshare.5104873.v1
反应 #1597024
DOI: 10.6084/m9.figshare.5104873.v1
反应 #1597025
DOI: 10.6084/m9.figshare.5104873.v1
反应 #1597026
DOI: 10.6084/m9.figshare.5104873.v1
反应 #1597027
DOI: 10.6084/m9.figshare.5104873.v1
反应 #1597028
收率 8.0%DOI: 10.6084/m9.figshare.5104873.v1
反应 #1597029
DOI: 10.6084/m9.figshare.5104873.v1
反应 #1597030
收率 100.5%DOI: 10.6084/m9.figshare.5104873.v1
反应 #1597031
收率 76.0%DOI: 10.6084/m9.figshare.5104873.v1
反应 #1597032
收率 51.2%DOI: 10.6084/m9.figshare.5104873.v1
反应 #1597033
DOI: 10.6084/m9.figshare.5104873.v1
反应 #1597034
DOI: 10.6084/m9.figshare.5104873.v1
反应 #1597035
收率 10.6%DOI: 10.6084/m9.figshare.5104873.v1
反应 #1597036
DOI: 10.6084/m9.figshare.5104873.v1
反应 #1597037
DOI: 10.6084/m9.figshare.5104873.v1
反应 #1597038
收率 95.6%DOI: 10.6084/m9.figshare.5104873.v1
反应 #1597039
收率 58.9%DOI: 10.6084/m9.figshare.5104873.v1