← 浏览数据集![[CH3:18][C:19]1[N:24]=[CH:23][C:22]([C:2]2[C:10]3[NH:9][C:8]4[CH:11]5[CH2:17][CH2:16][N:14]([CH2:15][C:7]=4[C:6]=3[CH:5]=[CH:4][CH:3]=2)[CH2:13][CH2:12]5)=[CH:21][CH:20]=1](/api/mol/svg?smiles=%5BCH3%3A18%5D%5BC%3A19%5D1%5BN%3A24%5D%3D%5BCH%3A23%5D%5BC%3A22%5D(%5BC%3A2%5D2%5BC%3A10%5D3%5BNH%3A9%5D%5BC%3A8%5D4%5BCH%3A11%5D5%5BCH2%3A17%5D%5BCH2%3A16%5D%5BN%3A14%5D(%5BCH2%3A15%5D%5BC%3A7%5D%3D4%5BC%3A6%5D%3D3%5BCH%3A5%5D%3D%5BCH%3A4%5D%5BCH%3A3%5D%3D2)%5BCH2%3A13%5D%5BCH2%3A12%5D5)%3D%5BCH%3A21%5D%5BCH%3A20%5D%3D1&w=100&h=80)
![[N:18]1[CH:23]=[C:22]([C:2]2[C:10]3[NH:9][C:8]4[CH:11]5[CH2:17][CH2:16][N:14]([CH2:15][C:7]=4[C:6]=3[CH:5]=[CH:4][CH:3]=2)[CH2:13][CH2:12]5)[CH:21]=[N:20][CH:19]=1](/api/mol/svg?smiles=%5BN%3A18%5D1%5BCH%3A23%5D%3D%5BC%3A22%5D(%5BC%3A2%5D2%5BC%3A10%5D3%5BNH%3A9%5D%5BC%3A8%5D4%5BCH%3A11%5D5%5BCH2%3A17%5D%5BCH2%3A16%5D%5BN%3A14%5D(%5BCH2%3A15%5D%5BC%3A7%5D%3D4%5BC%3A6%5D%3D3%5BCH%3A5%5D%3D%5BCH%3A4%5D%5BCH%3A3%5D%3D2)%5BCH2%3A13%5D%5BCH2%3A12%5D5)%5BCH%3A21%5D%3D%5BN%3A20%5D%5BCH%3A19%5D%3D1&w=100&h=80)
![[N:18]1[CH:23]=[CH:22][CH:21]=[C:20]([C:2]2[C:10]3[NH:9][C:8]4[CH:11]5[CH2:17][CH2:16][N:14]([CH2:15][C:7]=4[C:6]=3[CH:5]=[CH:4][CH:3]=2)[CH2:13][CH2:12]5)[CH:19]=1](/api/mol/svg?smiles=%5BN%3A18%5D1%5BCH%3A23%5D%3D%5BCH%3A22%5D%5BCH%3A21%5D%3D%5BC%3A20%5D(%5BC%3A2%5D2%5BC%3A10%5D3%5BNH%3A9%5D%5BC%3A8%5D4%5BCH%3A11%5D5%5BCH2%3A17%5D%5BCH2%3A16%5D%5BN%3A14%5D(%5BCH2%3A15%5D%5BC%3A7%5D%3D4%5BC%3A6%5D%3D3%5BCH%3A5%5D%3D%5BCH%3A4%5D%5BCH%3A3%5D%3D2)%5BCH2%3A13%5D%5BCH2%3A12%5D5)%5BCH%3A19%5D%3D1&w=100&h=80)
![[N:18]1[CH:23]=[CH:22][C:21]([C:2]2[C:10]3[NH:9][C:8]4[CH:11]5[CH2:17][CH2:16][N:14]([CH2:15][C:7]=4[C:6]=3[CH:5]=[CH:4][CH:3]=2)[CH2:13][CH2:12]5)=[CH:20][CH:19]=1](/api/mol/svg?smiles=%5BN%3A18%5D1%5BCH%3A23%5D%3D%5BCH%3A22%5D%5BC%3A21%5D(%5BC%3A2%5D2%5BC%3A10%5D3%5BNH%3A9%5D%5BC%3A8%5D4%5BCH%3A11%5D5%5BCH2%3A17%5D%5BCH2%3A16%5D%5BN%3A14%5D(%5BCH2%3A15%5D%5BC%3A7%5D%3D4%5BC%3A6%5D%3D3%5BCH%3A5%5D%3D%5BCH%3A4%5D%5BCH%3A3%5D%3D2)%5BCH2%3A13%5D%5BCH2%3A12%5D5)%3D%5BCH%3A20%5D%5BCH%3A19%5D%3D1&w=100&h=80)
![[N:18]1[C:27]2[C:22](=[CH:23][CH:24]=[CH:25][CH:26]=2)[CH:21]=[C:20]([C:2]2[C:10]3[NH:9][C:8]4[CH:11]5[CH2:17][CH2:16][N:14]([CH2:15][C:7]=4[C:6]=3[CH:5]=[CH:4][CH:3]=2)[CH2:13][CH2:12]5)[CH:19]=1](/api/mol/svg?smiles=%5BN%3A18%5D1%5BC%3A27%5D2%5BC%3A22%5D(%3D%5BCH%3A23%5D%5BCH%3A24%5D%3D%5BCH%3A25%5D%5BCH%3A26%5D%3D2)%5BCH%3A21%5D%3D%5BC%3A20%5D(%5BC%3A2%5D2%5BC%3A10%5D3%5BNH%3A9%5D%5BC%3A8%5D4%5BCH%3A11%5D5%5BCH2%3A17%5D%5BCH2%3A16%5D%5BN%3A14%5D(%5BCH2%3A15%5D%5BC%3A7%5D%3D4%5BC%3A6%5D%3D3%5BCH%3A5%5D%3D%5BCH%3A4%5D%5BCH%3A3%5D%3D2)%5BCH2%3A13%5D%5BCH2%3A12%5D5)%5BCH%3A19%5D%3D1&w=100&h=80)
![[N:11]12[CH2:19][CH2:18][CH:15]([CH2:16][CH2:17]1)[N:14]([C:29]([C:2]1[C:10]3[C:5](=[CH:6][N:7]=[CH:8][CH:9]=3)[NH:4][N:3]=1)=[O:30])[CH2:13][CH2:12]2](/api/mol/svg?smiles=%5BN%3A11%5D12%5BCH2%3A19%5D%5BCH2%3A18%5D%5BCH%3A15%5D(%5BCH2%3A16%5D%5BCH2%3A17%5D1)%5BN%3A14%5D(%5BC%3A29%5D(%5BC%3A2%5D1%5BC%3A10%5D3%5BC%3A5%5D(%3D%5BCH%3A6%5D%5BN%3A7%5D%3D%5BCH%3A8%5D%5BCH%3A9%5D%3D3)%5BNH%3A4%5D%5BN%3A3%5D%3D1)%3D%5BO%3A30%5D)%5BCH2%3A13%5D%5BCH2%3A12%5D2&w=100&h=80)
![[Cl:1][C:18]1[N:17]=[C:16]2[NH:14][CH:15]=[C:23]([C:22]([N:24]3[CH:41]4[CH2:42][CH2:34][N:25]([CH2:39][CH2:40]4)[CH2:33][CH2:32]3)=[O:43])[C:21]2=[CH:20][CH:19]=1](/api/mol/svg?smiles=%5BCl%3A1%5D%5BC%3A18%5D1%5BN%3A17%5D%3D%5BC%3A16%5D2%5BNH%3A14%5D%5BCH%3A15%5D%3D%5BC%3A23%5D(%5BC%3A22%5D(%5BN%3A24%5D3%5BCH%3A41%5D4%5BCH2%3A42%5D%5BCH2%3A34%5D%5BN%3A25%5D(%5BCH2%3A39%5D%5BCH2%3A40%5D4)%5BCH2%3A33%5D%5BCH2%3A32%5D3)%3D%5BO%3A43%5D)%5BC%3A21%5D2%3D%5BCH%3A20%5D%5BCH%3A19%5D%3D1&w=100&h=80)
[CH2:11][CH2:10]1)=[O:6])[CH3:9]](/api/mol/svg?smiles=%5BCH2%3A8%5D(%5BO%3A7%5D%5BC%3A5%5D(%5BCH%3A4%5D1%5BCH2%3A3%5D%5BCH2%3A2%5D%5BN%3A1%5D(%5BCH3%3A12%5D)%5BCH2%3A11%5D%5BCH2%3A10%5D1)%3D%5BO%3A6%5D)%5BCH3%3A9%5D&w=100&h=80)
![[ClH:13]](/api/mol/svg?smiles=%5BClH%3A13%5D&w=100&h=80)
=[O:4])[CH2:22][CH2:21][O:20][CH2:19][CH2:18]1)=[O:8])[CH3:11]](/api/mol/svg?smiles=%5BCH2%3A10%5D(%5BO%3A9%5D%5BC%3A1%5D(%5BC%3A2%5D1(%5BC%3A3%5D(%5BO%3A5%5D%5BCH2%3A6%5D%5BCH3%3A7%5D)%3D%5BO%3A4%5D)%5BCH2%3A22%5D%5BCH2%3A21%5D%5BO%3A20%5D%5BCH2%3A19%5D%5BCH2%3A18%5D1)%3D%5BO%3A8%5D)%5BCH3%3A11%5D&w=100&h=80)
![[O:11]1[CH2:10][CH2:9][C:8]([C:6]([OH:7])=[O:5])([C:14]([OH:16])=[O:15])[CH2:13][CH2:12]1](/api/mol/svg?smiles=%5BO%3A11%5D1%5BCH2%3A10%5D%5BCH2%3A9%5D%5BC%3A8%5D(%5BC%3A6%5D(%5BOH%3A7%5D)%3D%5BO%3A5%5D)(%5BC%3A14%5D(%5BOH%3A16%5D)%3D%5BO%3A15%5D)%5BCH2%3A13%5D%5BCH2%3A12%5D1&w=100&h=80)
![[Br:21][CH2:14][C:11]([CH:8]1[CH2:7][CH2:6][O:5][CH2:10][CH2:9]1)=[O:13]](/api/mol/svg?smiles=%5BBr%3A21%5D%5BCH2%3A14%5D%5BC%3A11%5D(%5BCH%3A8%5D1%5BCH2%3A7%5D%5BCH2%3A6%5D%5BO%3A5%5D%5BCH2%3A10%5D%5BCH2%3A9%5D1)%3D%5BO%3A13%5D&w=100&h=80)
![[Br-:1]](/api/mol/svg?smiles=%5BBr-%3A1%5D&w=100&h=80)
![[Br-:1]](/api/mol/svg?smiles=%5BBr-%3A1%5D&w=100&h=80)
![[Br-:1]](/api/mol/svg?smiles=%5BBr-%3A1%5D&w=100&h=80)
![[CH:2]1([C:7]2[CH:15]=[C:10]3[N:9]([CH:8]=2)[CH:14]=[CH:13][CH:12]=[CH:11]3)[CH2:6][CH2:5][CH2:4][CH2:3]1](/api/mol/svg?smiles=%5BCH%3A2%5D1(%5BC%3A7%5D2%5BCH%3A15%5D%3D%5BC%3A10%5D3%5BN%3A9%5D(%5BCH%3A8%5D%3D2)%5BCH%3A14%5D%3D%5BCH%3A13%5D%5BCH%3A12%5D%3D%5BCH%3A11%5D3)%5BCH2%3A6%5D%5BCH2%3A5%5D%5BCH2%3A4%5D%5BCH2%3A3%5D1&w=100&h=80)
![[C:1]1([C:7]2[CH:8]=[C:9]3[N:14]([CH:15]=2)[CH2:13][CH2:12][CH2:11][CH2:10]3)[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=1](/api/mol/svg?smiles=%5BC%3A1%5D1(%5BC%3A7%5D2%5BCH%3A8%5D%3D%5BC%3A9%5D3%5BN%3A14%5D(%5BCH%3A15%5D%3D2)%5BCH2%3A13%5D%5BCH2%3A12%5D%5BCH2%3A11%5D%5BCH2%3A10%5D3)%5BCH%3A2%5D%3D%5BCH%3A3%5D%5BCH%3A4%5D%3D%5BCH%3A5%5D%5BCH%3A6%5D%3D1&w=100&h=80)
![[CH:1]1([C:6]2[CH:7]=[C:8]3[N:13]([CH:14]=2)[CH2:12][CH2:11][CH2:10][CH2:9]3)[CH2:2][CH2:3][CH2:4][CH2:5]1](/api/mol/svg?smiles=%5BCH%3A1%5D1(%5BC%3A6%5D2%5BCH%3A7%5D%3D%5BC%3A8%5D3%5BN%3A13%5D(%5BCH%3A14%5D%3D2)%5BCH2%3A12%5D%5BCH2%3A11%5D%5BCH2%3A10%5D%5BCH2%3A9%5D3)%5BCH2%3A2%5D%5BCH2%3A3%5D%5BCH2%3A4%5D%5BCH2%3A5%5D1&w=100&h=80)
![[O:3]=[C:2]([C:21]1[N:20]2[C:15]([CH2:16][CH2:17][CH2:18][CH2:19]2)=[CH:14][C:13]=1[C:7]1[CH:12]=[CH:11][CH:10]=[CH:9][CH:8]=1)[C:1]([Cl:6])=[O:5]](/api/mol/svg?smiles=%5BO%3A3%5D%3D%5BC%3A2%5D(%5BC%3A21%5D1%5BN%3A20%5D2%5BC%3A15%5D(%5BCH2%3A16%5D%5BCH2%3A17%5D%5BCH2%3A18%5D%5BCH2%3A19%5D2)%3D%5BCH%3A14%5D%5BC%3A13%5D%3D1%5BC%3A7%5D1%5BCH%3A12%5D%3D%5BCH%3A11%5D%5BCH%3A10%5D%3D%5BCH%3A9%5D%5BCH%3A8%5D%3D1)%5BC%3A1%5D(%5BCl%3A6%5D)%3D%5BO%3A5%5D&w=100&h=80)
![[CH:1]1([C:6]2[CH:7]=[C:8]3[N:13]([C:14]=2[C:22](=[O:26])[C:23]([Cl:25])=[O:24])[CH2:12][CH2:11][CH2:10][CH2:9]3)[CH2:2][CH2:3][CH2:4][CH2:5]1](/api/mol/svg?smiles=%5BCH%3A1%5D1(%5BC%3A6%5D2%5BCH%3A7%5D%3D%5BC%3A8%5D3%5BN%3A13%5D(%5BC%3A14%5D%3D2%5BC%3A22%5D(%3D%5BO%3A26%5D)%5BC%3A23%5D(%5BCl%3A25%5D)%3D%5BO%3A24%5D)%5BCH2%3A12%5D%5BCH2%3A11%5D%5BCH2%3A10%5D%5BCH2%3A9%5D3)%5BCH2%3A2%5D%5BCH2%3A3%5D%5BCH2%3A4%5D%5BCH2%3A5%5D1&w=100&h=80)
Dataset #20
反应 #66088
DOI: 10.6084/m9.figshare.5104873.v1
反应 #66089
DOI: 10.6084/m9.figshare.5104873.v1
反应 #66090
DOI: 10.6084/m9.figshare.5104873.v1
反应 #66091
DOI: 10.6084/m9.figshare.5104873.v1
反应 #66092
DOI: 10.6084/m9.figshare.5104873.v1
反应 #66093
DOI: 10.6084/m9.figshare.5104873.v1
反应 #66094
DOI: 10.6084/m9.figshare.5104873.v1
反应 #66095
收率 61.0%DOI: 10.6084/m9.figshare.5104873.v1
反应 #66096
收率 48.0%DOI: 10.6084/m9.figshare.5104873.v1
反应 #66097
收率 44.0%DOI: 10.6084/m9.figshare.5104873.v1
反应 #66098
收率 61.0%DOI: 10.6084/m9.figshare.5104873.v1
反应 #66099
收率 35.0%DOI: 10.6084/m9.figshare.5104873.v1
反应 #66100
收率 117.6%DOI: 10.6084/m9.figshare.5104873.v1
反应 #66101
收率 93.0%DOI: 10.6084/m9.figshare.5104873.v1
反应 #66102
收率 86.4%DOI: 10.6084/m9.figshare.5104873.v1
反应 #66103
收率 41.0%DOI: 10.6084/m9.figshare.5104873.v1
反应 #66104
收率 67.6%DOI: 10.6084/m9.figshare.5104873.v1
反应 #66105
收率 94.0%DOI: 10.6084/m9.figshare.5104873.v1
反应 #66106
收率 91.2%DOI: 10.6084/m9.figshare.5104873.v1
反应 #66107
收率 88.0%DOI: 10.6084/m9.figshare.5104873.v1