← 浏览数据集![[Br:1][C:2]1[CH:3]=[C:4]2[CH:5]=[C:6]([CH2:8][NH:9][C:10]3[N:11]=[C:12]([NH:17][C:18]4[CH:23]=[CH:22][CH:21]=[C:20]([CH:19]=4)[CH2:24][CH2:25][CH2:26][O:28]2)[N:13]=[CH:14][C:15]=3[Cl:16])[CH:7]=1](/api/mol/svg?smiles=%5BBr%3A1%5D%5BC%3A2%5D1%5BCH%3A3%5D%3D%5BC%3A4%5D2%5BCH%3A5%5D%3D%5BC%3A6%5D(%5BCH2%3A8%5D%5BNH%3A9%5D%5BC%3A10%5D3%5BN%3A11%5D%3D%5BC%3A12%5D(%5BNH%3A17%5D%5BC%3A18%5D4%5BCH%3A23%5D%3D%5BCH%3A22%5D%5BCH%3A21%5D%3D%5BC%3A20%5D(%5BCH%3A19%5D%3D4)%5BCH2%3A24%5D%5BCH2%3A25%5D%5BCH2%3A26%5D%5BO%3A28%5D2)%5BN%3A13%5D%3D%5BCH%3A14%5D%5BC%3A15%5D%3D3%5BCl%3A16%5D)%5BCH%3A7%5D%3D1&w=100&h=80)
![[CH3:23][Si:24]([C:27]#[C:28][C:2]1[CH:3]=[C:4]([NH:8][C:9](=[O:15])[O:10][C:11]([CH3:14])([CH3:13])[CH3:12])[CH:5]=[N:6][CH:7]=1)([CH3:26])[CH3:25]](/api/mol/svg?smiles=%5BCH3%3A23%5D%5BSi%3A24%5D(%5BC%3A27%5D%23%5BC%3A28%5D%5BC%3A2%5D1%5BCH%3A3%5D%3D%5BC%3A4%5D(%5BNH%3A8%5D%5BC%3A9%5D(%3D%5BO%3A15%5D)%5BO%3A10%5D%5BC%3A11%5D(%5BCH3%3A14%5D)(%5BCH3%3A13%5D)%5BCH3%3A12%5D)%5BCH%3A5%5D%3D%5BN%3A6%5D%5BCH%3A7%5D%3D1)(%5BCH3%3A26%5D)%5BCH3%3A25%5D&w=100&h=80)
[O:15][C:16]([CH3:18])([CH3:17])[CH3:19])[CH:10]=[N:11][CH:12]=1)#[CH:5]](/api/mol/svg?smiles=%5BC%3A6%5D(%5BC%3A7%5D1%5BCH%3A8%5D%3D%5BC%3A9%5D(%5BNH%3A13%5D%5BC%3A14%5D(%3D%5BO%3A20%5D)%5BO%3A15%5D%5BC%3A16%5D(%5BCH3%3A18%5D)(%5BCH3%3A17%5D)%5BCH3%3A19%5D)%5BCH%3A10%5D%3D%5BN%3A11%5D%5BCH%3A12%5D%3D1)%23%5BCH%3A5%5D&w=100&h=80)
=[CH:4][C:5]=1[C:26]#[C:25][C:27]1[CH:28]=[C:29]([NH:33][C:34](=[O:40])[O:35][C:36]([CH3:38])([CH3:37])[CH3:39])[CH:30]=[N:31][CH:32]=1)=[O:16])([CH3:15])([CH3:14])[CH3:13]](/api/mol/svg?smiles=%5BC%3A12%5D(%5BO%3A11%5D%5BC%3A10%5D(%5BNH%3A9%5D%5BC%3A6%5D1%5BCH%3A7%5D%3D%5BCH%3A8%5D%5BC%3A3%5D(%5BC%3A1%5D%23%5BN%3A2%5D)%3D%5BCH%3A4%5D%5BC%3A5%5D%3D1%5BC%3A26%5D%23%5BC%3A25%5D%5BC%3A27%5D1%5BCH%3A28%5D%3D%5BC%3A29%5D(%5BNH%3A33%5D%5BC%3A34%5D(%3D%5BO%3A40%5D)%5BO%3A35%5D%5BC%3A36%5D(%5BCH3%3A38%5D)(%5BCH3%3A37%5D)%5BCH3%3A39%5D)%5BCH%3A30%5D%3D%5BN%3A31%5D%5BCH%3A32%5D%3D1)%3D%5BO%3A16%5D)(%5BCH3%3A15%5D)(%5BCH3%3A14%5D)%5BCH3%3A13%5D&w=100&h=80)
=[CH:11][C:10]=1[CH2:17][CH2:18][C:19]1[CH:20]=[C:21]([NH:25][C:26](=[O:32])[O:27][C:28]([CH3:31])([CH3:30])[CH3:29])[CH:22]=[N:23][CH:24]=1)=[O:7])([CH3:4])([CH3:3])[CH3:2]](/api/mol/svg?smiles=%5BC%3A1%5D(%5BO%3A5%5D%5BC%3A6%5D(%5BNH%3A8%5D%5BC%3A9%5D1%5BCH%3A14%5D%3D%5BCH%3A13%5D%5BC%3A12%5D(%5BC%3A15%5D%23%5BN%3A16%5D)%3D%5BCH%3A11%5D%5BC%3A10%5D%3D1%5BCH2%3A17%5D%5BCH2%3A18%5D%5BC%3A19%5D1%5BCH%3A20%5D%3D%5BC%3A21%5D(%5BNH%3A25%5D%5BC%3A26%5D(%3D%5BO%3A32%5D)%5BO%3A27%5D%5BC%3A28%5D(%5BCH3%3A31%5D)(%5BCH3%3A30%5D)%5BCH3%3A29%5D)%5BCH%3A22%5D%3D%5BN%3A23%5D%5BCH%3A24%5D%3D1)%3D%5BO%3A7%5D)(%5BCH3%3A4%5D)(%5BCH3%3A3%5D)%5BCH3%3A2%5D&w=100&h=80)
![[NH2:16][CH2:15][C:12]1[CH:13]=[CH:14][C:9]([NH:8][C:6]([O:5][C:1]([CH3:4])([CH3:3])[CH3:2])=[O:7])=[C:10]([CH2:17][CH2:18][C:19]2[CH:20]=[C:21]([NH:25][C:26](=[O:32])[O:27][C:28]([CH3:31])([CH3:29])[CH3:30])[CH:22]=[N:23][CH:24]=2)[CH:11]=1](/api/mol/svg?smiles=%5BNH2%3A16%5D%5BCH2%3A15%5D%5BC%3A12%5D1%5BCH%3A13%5D%3D%5BCH%3A14%5D%5BC%3A9%5D(%5BNH%3A8%5D%5BC%3A6%5D(%5BO%3A5%5D%5BC%3A1%5D(%5BCH3%3A4%5D)(%5BCH3%3A3%5D)%5BCH3%3A2%5D)%3D%5BO%3A7%5D)%3D%5BC%3A10%5D(%5BCH2%3A17%5D%5BCH2%3A18%5D%5BC%3A19%5D2%5BCH%3A20%5D%3D%5BC%3A21%5D(%5BNH%3A25%5D%5BC%3A26%5D(%3D%5BO%3A32%5D)%5BO%3A27%5D%5BC%3A28%5D(%5BCH3%3A31%5D)(%5BCH3%3A29%5D)%5BCH3%3A30%5D)%5BCH%3A22%5D%3D%5BN%3A23%5D%5BCH%3A24%5D%3D2)%5BCH%3A11%5D%3D1&w=100&h=80)
=[CH:38][N:39]=[C:34]([Cl:33])[N:35]=2)=[CH:8][C:7]=1[CH2:9][CH2:10][C:11]1[CH:12]=[C:13]([NH:17][C:18](=[O:24])[O:19][C:20]([CH3:23])([CH3:21])[CH3:22])[CH:14]=[N:15][CH:16]=1)=[O:27])([CH3:32])([CH3:31])[CH3:30]](/api/mol/svg?smiles=%5BC%3A29%5D(%5BO%3A28%5D%5BC%3A26%5D(%5BNH%3A25%5D%5BC%3A6%5D1%5BCH%3A5%5D%3D%5BCH%3A4%5D%5BC%3A3%5D(%5BCH2%3A2%5D%5BNH%3A1%5D%5BC%3A36%5D2%5BC%3A37%5D(%5BCl%3A41%5D)%3D%5BCH%3A38%5D%5BN%3A39%5D%3D%5BC%3A34%5D(%5BCl%3A33%5D)%5BN%3A35%5D%3D2)%3D%5BCH%3A8%5D%5BC%3A7%5D%3D1%5BCH2%3A9%5D%5BCH2%3A10%5D%5BC%3A11%5D1%5BCH%3A12%5D%3D%5BC%3A13%5D(%5BNH%3A17%5D%5BC%3A18%5D(%3D%5BO%3A24%5D)%5BO%3A19%5D%5BC%3A20%5D(%5BCH3%3A23%5D)(%5BCH3%3A21%5D)%5BCH3%3A22%5D)%5BCH%3A14%5D%3D%5BN%3A15%5D%5BCH%3A16%5D%3D1)%3D%5BO%3A27%5D)(%5BCH3%3A32%5D)(%5BCH3%3A31%5D)%5BCH3%3A30%5D&w=100&h=80)
![[ClH:23]](/api/mol/svg?smiles=%5BClH%3A23%5D&w=100&h=80)
![[Cl:17][C:16]1[CH:15]=[N:14][C:13]2[NH:29][C:27]3[CH:26]=[N:25][CH:24]=[C:23]([CH:28]=3)[CH2:22][CH2:21][C:6]3[CH:7]=[C:8]([CH2:9][NH:10][C:11]=1[N:12]=2)[CH:19]=[CH:20][C:5]=3[NH2:4]](/api/mol/svg?smiles=%5BCl%3A17%5D%5BC%3A16%5D1%5BCH%3A15%5D%3D%5BN%3A14%5D%5BC%3A13%5D2%5BNH%3A29%5D%5BC%3A27%5D3%5BCH%3A26%5D%3D%5BN%3A25%5D%5BCH%3A24%5D%3D%5BC%3A23%5D(%5BCH%3A28%5D%3D3)%5BCH2%3A22%5D%5BCH2%3A21%5D%5BC%3A6%5D3%5BCH%3A7%5D%3D%5BC%3A8%5D(%5BCH2%3A9%5D%5BNH%3A10%5D%5BC%3A11%5D%3D1%5BN%3A12%5D%3D2)%5BCH%3A19%5D%3D%5BCH%3A20%5D%5BC%3A5%5D%3D3%5BNH2%3A4%5D&w=100&h=80)
[CH2:9][CH2:10]1)=[O:15])[CH3:18]](/api/mol/svg?smiles=%5BCH2%3A17%5D(%5BO%3A16%5D%5BC%3A14%5D(%5BCH%3A11%5D1%5BCH2%3A12%5D%5BCH2%3A13%5D%5BC%3A8%5D(%3D%5BCH2%3A19%5D)%5BCH2%3A9%5D%5BCH2%3A10%5D1)%3D%5BO%3A15%5D)%5BCH3%3A18%5D&w=100&h=80)
[C:8]1[CH:19]=[CH:20][CH:15]=[CH:16][CH:17]=1](/api/mol/svg?smiles=%5BCH2%3A7%5D(%5BN%3A9%5D1%5BCH2%3A12%5D%5BCH2%3A13%5D%5BCH2%3A2%5D%5BCH2%3A11%5D%5BCH2%3A10%5D1)%5BC%3A8%5D1%5BCH%3A19%5D%3D%5BCH%3A20%5D%5BCH%3A15%5D%3D%5BCH%3A16%5D%5BCH%3A17%5D%3D1&w=100&h=80)
[C:2]1[CH:15]=[CH:16][CH:9]=[CH:10][CH:11]=1](/api/mol/svg?smiles=%5BCH2%3A1%5D(%5BN%3A3%5D1%5BCH2%3A6%5D%5BCH2%3A7%5D%5BCH2%3A17%5D%5BCH2%3A5%5D%5BCH2%3A4%5D1)%5BC%3A2%5D1%5BCH%3A15%5D%3D%5BCH%3A16%5D%5BCH%3A9%5D%3D%5BCH%3A10%5D%5BCH%3A11%5D%3D1&w=100&h=80)
![[N:1]1[CH:2]=[C:3]([O:7][C:8]2[CH2:12][CH2:11][O:10][N:9]=2)[CH:4]=[N:16][CH:6]=1](/api/mol/svg?smiles=%5BN%3A1%5D1%5BCH%3A2%5D%3D%5BC%3A3%5D(%5BO%3A7%5D%5BC%3A8%5D2%5BCH2%3A12%5D%5BCH2%3A11%5D%5BO%3A10%5D%5BN%3A9%5D%3D2)%5BCH%3A4%5D%3D%5BN%3A16%5D%5BCH%3A6%5D%3D1&w=100&h=80)
![[N:24]1[CH:10]=[CH:11][CH:12]=[C:13]([O:15][C:31]2[CH2:32][CH2:33][O:29][N:30]=2)[CH:22]=1](/api/mol/svg?smiles=%5BN%3A24%5D1%5BCH%3A10%5D%3D%5BCH%3A11%5D%5BCH%3A12%5D%3D%5BC%3A13%5D(%5BO%3A15%5D%5BC%3A31%5D2%5BCH2%3A32%5D%5BCH2%3A33%5D%5BO%3A29%5D%5BN%3A30%5D%3D2)%5BCH%3A22%5D%3D1&w=100&h=80)
![[N:7]1([C:2]2[CH2:6][CH2:5][O:4][N:3]=2)[CH2:11][CH2:10][CH2:9][CH2:8]1](/api/mol/svg?smiles=%5BN%3A7%5D1(%5BC%3A2%5D2%5BCH2%3A6%5D%5BCH2%3A5%5D%5BO%3A4%5D%5BN%3A3%5D%3D2)%5BCH2%3A11%5D%5BCH2%3A10%5D%5BCH2%3A9%5D%5BCH2%3A8%5D1&w=100&h=80)
![[I-:12]](/api/mol/svg?smiles=%5BI-%3A12%5D&w=100&h=80)
![[N:7]1[CH:2]=[CH:3][CH:4]=[C:5]([O:8][C:27]2[CH2:26][CH2:9][O:12][N:23]=2)[CH:6]=1](/api/mol/svg?smiles=%5BN%3A7%5D1%5BCH%3A2%5D%3D%5BCH%3A3%5D%5BCH%3A4%5D%3D%5BC%3A5%5D(%5BO%3A8%5D%5BC%3A27%5D2%5BCH2%3A26%5D%5BCH2%3A9%5D%5BO%3A12%5D%5BN%3A23%5D%3D2)%5BCH%3A6%5D%3D1&w=100&h=80)
![[N:12]1[CH:11]=[CH:10][CH:15]=[C:14]([O:16][C:2]2[CH2:6][CH2:5][O:4][N:3]=2)[CH:13]=1](/api/mol/svg?smiles=%5BN%3A12%5D1%5BCH%3A11%5D%3D%5BCH%3A10%5D%5BCH%3A15%5D%3D%5BC%3A14%5D(%5BO%3A16%5D%5BC%3A2%5D2%5BCH2%3A6%5D%5BCH2%3A5%5D%5BO%3A4%5D%5BN%3A3%5D%3D2)%5BCH%3A13%5D%3D1&w=100&h=80)
![[NH2:10][C@H:11]([C:12]([OH:14])=[O:13])[CH2:1][C:2](=[O:17])[NH2:3]](/api/mol/svg?smiles=%5BNH2%3A10%5D%5BC%40H%3A11%5D(%5BC%3A12%5D(%5BOH%3A14%5D)%3D%5BO%3A13%5D)%5BCH2%3A1%5D%5BC%3A2%5D(%3D%5BO%3A17%5D)%5BNH2%3A3%5D&w=100&h=80)
=[CH:7][C:8]([C:31](=[O:22])[CH3:26])=[CH:9][CH:10]=3)(=[O:19])[CH3:20]](/api/mol/svg?smiles=%5BC%3A18%5D(%5BC%3A3%5D1%5BCH%3A2%5D%3D%5BCH%3A1%5D%5BC%3A13%5D2%5BNH%3A12%5D%5BC%3A11%5D3%5BC%3A6%5D(%5BC%3A5%5D%3D2%5BCH%3A4%5D%3D1)%3D%5BCH%3A7%5D%5BC%3A8%5D(%5BC%3A31%5D(%3D%5BO%3A22%5D)%5BCH3%3A26%5D)%3D%5BCH%3A9%5D%5BCH%3A10%5D%3D3)(%3D%5BO%3A19%5D)%5BCH3%3A20%5D&w=100&h=80)
Dataset #370
反应 #1702159
收率 53.0%DOI: 10.6084/m9.figshare.5104873.v1
反应 #1702160
收率 63.0%DOI: 10.6084/m9.figshare.5104873.v1
反应 #1702161
收率 67.0%DOI: 10.6084/m9.figshare.5104873.v1
反应 #1702162
收率 52.8%DOI: 10.6084/m9.figshare.5104873.v1
反应 #1702163
收率 99.0%DOI: 10.6084/m9.figshare.5104873.v1
反应 #1702164
收率 99.0%DOI: 10.6084/m9.figshare.5104873.v1
反应 #1702165
收率 41.5%DOI: 10.6084/m9.figshare.5104873.v1
反应 #1702166
收率 98.0%DOI: 10.6084/m9.figshare.5104873.v1
反应 #1702167
收率 42.0%DOI: 10.6084/m9.figshare.5104873.v1
反应 #1702168
DOI: 10.6084/m9.figshare.5104873.v1
反应 #1702169
DOI: 10.6084/m9.figshare.5104873.v1
反应 #1702170
DOI: 10.6084/m9.figshare.5104873.v1
反应 #1702171
DOI: 10.6084/m9.figshare.5104873.v1
反应 #1702172
DOI: 10.6084/m9.figshare.5104873.v1
反应 #1702173
DOI: 10.6084/m9.figshare.5104873.v1
反应 #1702174
DOI: 10.6084/m9.figshare.5104873.v1
反应 #1702175
DOI: 10.6084/m9.figshare.5104873.v1
反应 #1702176
DOI: 10.6084/m9.figshare.5104873.v1
反应 #1702177
DOI: 10.6084/m9.figshare.5104873.v1
反应 #1702178
收率 50.0%DOI: 10.6084/m9.figshare.5104873.v1