← 浏览数据集![[I-:13]](/api/mol/svg?smiles=%5BI-%3A13%5D&w=100&h=80)
![[CH3:12][N:13]1[C:4](=[O:5])[C:3]2=[CH:7][CH:8]=[CH:9][CH:10]=[C:2]2[C:1]1=[O:6]](/api/mol/svg?smiles=%5BCH3%3A12%5D%5BN%3A13%5D1%5BC%3A4%5D(%3D%5BO%3A5%5D)%5BC%3A3%5D2%3D%5BCH%3A7%5D%5BCH%3A8%5D%3D%5BCH%3A9%5D%5BCH%3A10%5D%3D%5BC%3A2%5D2%5BC%3A1%5D1%3D%5BO%3A6%5D&w=100&h=80)
![[C:2]1([CH:14]=[CH:15][C:16]2[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=2)[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1](/api/mol/svg?smiles=%5BC%3A2%5D1(%5BCH%3A14%5D%3D%5BCH%3A15%5D%5BC%3A16%5D2%5BCH%3A21%5D%3D%5BCH%3A20%5D%5BCH%3A19%5D%3D%5BCH%3A18%5D%5BCH%3A17%5D%3D2)%5BCH%3A7%5D%3D%5BCH%3A6%5D%5BCH%3A5%5D%3D%5BCH%3A4%5D%5BCH%3A3%5D%3D1&w=100&h=80)
![[CH:16]1[CH:17]=[CH:18][C:13](/[CH:12]=[CH:11]/[C:7]2[CH:8]=[CH:9][C:4]([N+:1]([O-:3])=[O:2])=[CH:5][CH:6]=2)=[CH:14][CH:15]=1](/api/mol/svg?smiles=%5BCH%3A16%5D1%5BCH%3A17%5D%3D%5BCH%3A18%5D%5BC%3A13%5D(%2F%5BCH%3A12%5D%3D%5BCH%3A11%5D%2F%5BC%3A7%5D2%5BCH%3A8%5D%3D%5BCH%3A9%5D%5BC%3A4%5D(%5BN%2B%3A1%5D(%5BO-%3A3%5D)%3D%5BO%3A2%5D)%3D%5BCH%3A5%5D%5BCH%3A6%5D%3D2)%3D%5BCH%3A14%5D%5BCH%3A15%5D%3D1&w=100&h=80)
![[C:2]1([CH:14]=[CH:15][C:16]2[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=2)[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1](/api/mol/svg?smiles=%5BC%3A2%5D1(%5BCH%3A14%5D%3D%5BCH%3A15%5D%5BC%3A16%5D2%5BCH%3A21%5D%3D%5BCH%3A20%5D%5BCH%3A19%5D%3D%5BCH%3A18%5D%5BCH%3A17%5D%3D2)%5BCH%3A7%5D%3D%5BCH%3A6%5D%5BCH%3A5%5D%3D%5BCH%3A4%5D%5BCH%3A3%5D%3D1&w=100&h=80)
([OH:3])[O-:2]](/api/mol/svg?smiles=%5BC%3A1%5D(%3D%5BO%3A4%5D)(%5BOH%3A3%5D)%5BO-%3A2%5D&w=100&h=80)
![[Br:1][C:2]1[CH:3]=[CH:4][C:5]([N:8]2[CH2:13][CH2:12][N:11]([CH2:15][CH2:16][NH:17][C:18](=[O:22])[O:19][CH2:20][CH3:21])[CH2:10][CH2:9]2)=[CH:6][CH:7]=1](/api/mol/svg?smiles=%5BBr%3A1%5D%5BC%3A2%5D1%5BCH%3A3%5D%3D%5BCH%3A4%5D%5BC%3A5%5D(%5BN%3A8%5D2%5BCH2%3A13%5D%5BCH2%3A12%5D%5BN%3A11%5D(%5BCH2%3A15%5D%5BCH2%3A16%5D%5BNH%3A17%5D%5BC%3A18%5D(%3D%5BO%3A22%5D)%5BO%3A19%5D%5BCH2%3A20%5D%5BCH3%3A21%5D)%5BCH2%3A10%5D%5BCH2%3A9%5D2)%3D%5BCH%3A6%5D%5BCH%3A7%5D%3D1&w=100&h=80)
![[Br:1][C:2]1[CH:3]=[CH:4][C:5]([N:8]2[CH2:13][CH2:12][N:11]([CH2:15][CH2:16][NH:17][C:18](=[O:22])[O:19][CH2:20][CH3:21])[CH2:10][CH2:9]2)=[CH:6][CH:7]=1](/api/mol/svg?smiles=%5BBr%3A1%5D%5BC%3A2%5D1%5BCH%3A3%5D%3D%5BCH%3A4%5D%5BC%3A5%5D(%5BN%3A8%5D2%5BCH2%3A13%5D%5BCH2%3A12%5D%5BN%3A11%5D(%5BCH2%3A15%5D%5BCH2%3A16%5D%5BNH%3A17%5D%5BC%3A18%5D(%3D%5BO%3A22%5D)%5BO%3A19%5D%5BCH2%3A20%5D%5BCH3%3A21%5D)%5BCH2%3A10%5D%5BCH2%3A9%5D2)%3D%5BCH%3A6%5D%5BCH%3A7%5D%3D1&w=100&h=80)
![[Br:1][C:2]1[CH:3]=[CH:4][C:5]([N:8]2[CH2:13][CH2:12][N:11]([CH2:15][CH2:16][NH:17][C:18](=[O:22])[O:19][CH2:20][CH3:21])[CH2:10][CH2:9]2)=[CH:6][CH:7]=1](/api/mol/svg?smiles=%5BBr%3A1%5D%5BC%3A2%5D1%5BCH%3A3%5D%3D%5BCH%3A4%5D%5BC%3A5%5D(%5BN%3A8%5D2%5BCH2%3A13%5D%5BCH2%3A12%5D%5BN%3A11%5D(%5BCH2%3A15%5D%5BCH2%3A16%5D%5BNH%3A17%5D%5BC%3A18%5D(%3D%5BO%3A22%5D)%5BO%3A19%5D%5BCH2%3A20%5D%5BCH3%3A21%5D)%5BCH2%3A10%5D%5BCH2%3A9%5D2)%3D%5BCH%3A6%5D%5BCH%3A7%5D%3D1&w=100&h=80)
![[Cl:1][C:2]1[CH:3]=[C:4]([N:9]2[CH2:14][CH2:13][N:12]([CH2:16][CH2:17][CH2:18][CH2:19][C:20]#[N:21])[CH2:11][CH2:10]2)[CH:5]=[CH:6][C:7]=1[Cl:8]](/api/mol/svg?smiles=%5BCl%3A1%5D%5BC%3A2%5D1%5BCH%3A3%5D%3D%5BC%3A4%5D(%5BN%3A9%5D2%5BCH2%3A14%5D%5BCH2%3A13%5D%5BN%3A12%5D(%5BCH2%3A16%5D%5BCH2%3A17%5D%5BCH2%3A18%5D%5BCH2%3A19%5D%5BC%3A20%5D%23%5BN%3A21%5D)%5BCH2%3A11%5D%5BCH2%3A10%5D2)%5BCH%3A5%5D%3D%5BCH%3A6%5D%5BC%3A7%5D%3D1%5BCl%3A8%5D&w=100&h=80)
![[Cl:1][C:2]1[CH:3]=[C:4]([N:9]2[CH2:14][CH2:13][N:12]([CH2:16][CH2:17][CH2:18][CH2:19][C:20]#[N:21])[CH2:11][CH2:10]2)[CH:5]=[CH:6][C:7]=1[Cl:8]](/api/mol/svg?smiles=%5BCl%3A1%5D%5BC%3A2%5D1%5BCH%3A3%5D%3D%5BC%3A4%5D(%5BN%3A9%5D2%5BCH2%3A14%5D%5BCH2%3A13%5D%5BN%3A12%5D(%5BCH2%3A16%5D%5BCH2%3A17%5D%5BCH2%3A18%5D%5BCH2%3A19%5D%5BC%3A20%5D%23%5BN%3A21%5D)%5BCH2%3A11%5D%5BCH2%3A10%5D2)%5BCH%3A5%5D%3D%5BCH%3A6%5D%5BC%3A7%5D%3D1%5BCl%3A8%5D&w=100&h=80)
![[Cl:1][C:2]1[CH:3]=[C:4]([N:9]2[CH2:14][CH2:13][N:12]([CH2:16][CH2:17][CH2:18][CH2:19][C:20]#[N:21])[CH2:11][CH2:10]2)[CH:5]=[CH:6][C:7]=1[Cl:8]](/api/mol/svg?smiles=%5BCl%3A1%5D%5BC%3A2%5D1%5BCH%3A3%5D%3D%5BC%3A4%5D(%5BN%3A9%5D2%5BCH2%3A14%5D%5BCH2%3A13%5D%5BN%3A12%5D(%5BCH2%3A16%5D%5BCH2%3A17%5D%5BCH2%3A18%5D%5BCH2%3A19%5D%5BC%3A20%5D%23%5BN%3A21%5D)%5BCH2%3A11%5D%5BCH2%3A10%5D2)%5BCH%3A5%5D%3D%5BCH%3A6%5D%5BC%3A7%5D%3D1%5BCl%3A8%5D&w=100&h=80)
![[Cl:1][C:2]1[CH:3]=[C:4]([N:9]2[CH2:14][CH2:13][N:12]([CH2:17][CH2:16][C:15]#[N:18])[CH2:11][CH2:10]2)[CH:5]=[CH:6][C:7]=1[Cl:8]](/api/mol/svg?smiles=%5BCl%3A1%5D%5BC%3A2%5D1%5BCH%3A3%5D%3D%5BC%3A4%5D(%5BN%3A9%5D2%5BCH2%3A14%5D%5BCH2%3A13%5D%5BN%3A12%5D(%5BCH2%3A17%5D%5BCH2%3A16%5D%5BC%3A15%5D%23%5BN%3A18%5D)%5BCH2%3A11%5D%5BCH2%3A10%5D2)%5BCH%3A5%5D%3D%5BCH%3A6%5D%5BC%3A7%5D%3D1%5BCl%3A8%5D&w=100&h=80)
![[Cl:1][C:2]1[CH:3]=[C:4]([N:9]2[CH2:14][CH2:13][N:12]([CH2:17][CH2:16][C:15]#[N:18])[CH2:11][CH2:10]2)[CH:5]=[CH:6][C:7]=1[Cl:8]](/api/mol/svg?smiles=%5BCl%3A1%5D%5BC%3A2%5D1%5BCH%3A3%5D%3D%5BC%3A4%5D(%5BN%3A9%5D2%5BCH2%3A14%5D%5BCH2%3A13%5D%5BN%3A12%5D(%5BCH2%3A17%5D%5BCH2%3A16%5D%5BC%3A15%5D%23%5BN%3A18%5D)%5BCH2%3A11%5D%5BCH2%3A10%5D2)%5BCH%3A5%5D%3D%5BCH%3A6%5D%5BC%3A7%5D%3D1%5BCl%3A8%5D&w=100&h=80)
![[Cl:1][C:2]1[CH:3]=[C:4]([N:9]2[CH2:14][CH2:13][N:12]([CH2:17][CH2:16][C:15]#[N:18])[CH2:11][CH2:10]2)[CH:5]=[CH:6][C:7]=1[Cl:8]](/api/mol/svg?smiles=%5BCl%3A1%5D%5BC%3A2%5D1%5BCH%3A3%5D%3D%5BC%3A4%5D(%5BN%3A9%5D2%5BCH2%3A14%5D%5BCH2%3A13%5D%5BN%3A12%5D(%5BCH2%3A17%5D%5BCH2%3A16%5D%5BC%3A15%5D%23%5BN%3A18%5D)%5BCH2%3A11%5D%5BCH2%3A10%5D2)%5BCH%3A5%5D%3D%5BCH%3A6%5D%5BC%3A7%5D%3D1%5BCl%3A8%5D&w=100&h=80)
![[CH3:18][C:19]1[CH:24]=[CH:23][C:22]([NH:25][C:26]([NH:17][CH2:16][CH2:15][N:12]2[CH2:13][CH2:14][N:9]([C:4]3[CH:5]=[CH:6][C:7]([Cl:8])=[C:2]([Cl:1])[CH:3]=3)[CH2:10][CH2:11]2)=[S:27])=[CH:21][CH:20]=1](/api/mol/svg?smiles=%5BCH3%3A18%5D%5BC%3A19%5D1%5BCH%3A24%5D%3D%5BCH%3A23%5D%5BC%3A22%5D(%5BNH%3A25%5D%5BC%3A26%5D(%5BNH%3A17%5D%5BCH2%3A16%5D%5BCH2%3A15%5D%5BN%3A12%5D2%5BCH2%3A13%5D%5BCH2%3A14%5D%5BN%3A9%5D(%5BC%3A4%5D3%5BCH%3A5%5D%3D%5BCH%3A6%5D%5BC%3A7%5D(%5BCl%3A8%5D)%3D%5BC%3A2%5D(%5BCl%3A1%5D)%5BCH%3A3%5D%3D3)%5BCH2%3A10%5D%5BCH2%3A11%5D2)%3D%5BS%3A27%5D)%3D%5BCH%3A21%5D%5BCH%3A20%5D%3D1&w=100&h=80)
![[CH3:18][C:19]1[CH:24]=[CH:23][C:22]([NH:25][C:26]([NH:17][CH2:16][CH2:15][N:12]2[CH2:13][CH2:14][N:9]([C:4]3[CH:5]=[CH:6][C:7]([Cl:8])=[C:2]([Cl:1])[CH:3]=3)[CH2:10][CH2:11]2)=[S:27])=[CH:21][CH:20]=1](/api/mol/svg?smiles=%5BCH3%3A18%5D%5BC%3A19%5D1%5BCH%3A24%5D%3D%5BCH%3A23%5D%5BC%3A22%5D(%5BNH%3A25%5D%5BC%3A26%5D(%5BNH%3A17%5D%5BCH2%3A16%5D%5BCH2%3A15%5D%5BN%3A12%5D2%5BCH2%3A13%5D%5BCH2%3A14%5D%5BN%3A9%5D(%5BC%3A4%5D3%5BCH%3A5%5D%3D%5BCH%3A6%5D%5BC%3A7%5D(%5BCl%3A8%5D)%3D%5BC%3A2%5D(%5BCl%3A1%5D)%5BCH%3A3%5D%3D3)%5BCH2%3A10%5D%5BCH2%3A11%5D2)%3D%5BS%3A27%5D)%3D%5BCH%3A21%5D%5BCH%3A20%5D%3D1&w=100&h=80)
![[OH:8][CH2:7][CH2:6][CH2:5][CH2:4][CH2:3][N:2]([CH3:1])[C:10]1[S:11][C:12]2[CH:18]=[CH:17][CH:16]=[CH:15][C:13]=2[N:14]=1](/api/mol/svg?smiles=%5BOH%3A8%5D%5BCH2%3A7%5D%5BCH2%3A6%5D%5BCH2%3A5%5D%5BCH2%3A4%5D%5BCH2%3A3%5D%5BN%3A2%5D(%5BCH3%3A1%5D)%5BC%3A10%5D1%5BS%3A11%5D%5BC%3A12%5D2%5BCH%3A18%5D%3D%5BCH%3A17%5D%5BCH%3A16%5D%3D%5BCH%3A15%5D%5BC%3A13%5D%3D2%5BN%3A14%5D%3D1&w=100&h=80)
![[OH:8][CH2:7][CH2:6][CH2:5][CH2:4][CH2:3][N:2]([CH3:1])[C:10]1[S:11][C:12]2[CH:18]=[CH:17][CH:16]=[CH:15][C:13]=2[N:14]=1](/api/mol/svg?smiles=%5BOH%3A8%5D%5BCH2%3A7%5D%5BCH2%3A6%5D%5BCH2%3A5%5D%5BCH2%3A4%5D%5BCH2%3A3%5D%5BN%3A2%5D(%5BCH3%3A1%5D)%5BC%3A10%5D1%5BS%3A11%5D%5BC%3A12%5D2%5BCH%3A18%5D%3D%5BCH%3A17%5D%5BCH%3A16%5D%3D%5BCH%3A15%5D%5BC%3A13%5D%3D2%5BN%3A14%5D%3D1&w=100&h=80)
![[Cl:18][CH2:17][CH2:16][N:12]1[CH2:13][CH2:14][N:9]([C:4]2[CH:5]=[CH:6][C:7]([Cl:8])=[C:2]([Cl:1])[CH:3]=2)[CH2:10][CH2:11]1](/api/mol/svg?smiles=%5BCl%3A18%5D%5BCH2%3A17%5D%5BCH2%3A16%5D%5BN%3A12%5D1%5BCH2%3A13%5D%5BCH2%3A14%5D%5BN%3A9%5D(%5BC%3A4%5D2%5BCH%3A5%5D%3D%5BCH%3A6%5D%5BC%3A7%5D(%5BCl%3A8%5D)%3D%5BC%3A2%5D(%5BCl%3A1%5D)%5BCH%3A3%5D%3D2)%5BCH2%3A10%5D%5BCH2%3A11%5D1&w=100&h=80)
Dataset #470
反应 #2063053
DOI: 10.6084/m9.figshare.5104873.v1
反应 #2063054
DOI: 10.6084/m9.figshare.5104873.v1
反应 #2063055
DOI: 10.6084/m9.figshare.5104873.v1
反应 #2063056
DOI: 10.6084/m9.figshare.5104873.v1
反应 #2063057
DOI: 10.6084/m9.figshare.5104873.v1
反应 #2063058
DOI: 10.6084/m9.figshare.5104873.v1
反应 #2063059
DOI: 10.6084/m9.figshare.5104873.v1
反应 #2063059
收率 67.2%DOI: 10.6084/m9.figshare.5104873.v1
反应 #2063059
收率 67.1%DOI: 10.6084/m9.figshare.5104873.v1
反应 #2063060
DOI: 10.6084/m9.figshare.5104873.v1
反应 #2063060
收率 72.0%DOI: 10.6084/m9.figshare.5104873.v1
反应 #2063060
收率 72.1%DOI: 10.6084/m9.figshare.5104873.v1
反应 #2063061
DOI: 10.6084/m9.figshare.5104873.v1
反应 #2063061
收率 98.5%DOI: 10.6084/m9.figshare.5104873.v1
反应 #2063061
收率 98.5%DOI: 10.6084/m9.figshare.5104873.v1
反应 #2063062
DOI: 10.6084/m9.figshare.5104873.v1
反应 #2063062
收率 99.2%DOI: 10.6084/m9.figshare.5104873.v1
反应 #2063063
DOI: 10.6084/m9.figshare.5104873.v1
反应 #2063063
收率 97.3%DOI: 10.6084/m9.figshare.5104873.v1
反应 #2063064
DOI: 10.6084/m9.figshare.5104873.v1
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