← 浏览数据集![[Br:18][C:19]1[CH:26]=[CH:25][C:22]([CH2:23][N:13]([C:4]2[CH:5]=[CH:6][C:7]3[C:12](=[CH:11][CH:10]=[CH:9][CH:8]=3)[N:3]=2)[CH2:14][CH2:15][CH2:16][NH2:17])=[CH:21][CH:20]=1](/api/mol/svg?smiles=%5BBr%3A18%5D%5BC%3A19%5D1%5BCH%3A26%5D%3D%5BCH%3A25%5D%5BC%3A22%5D(%5BCH2%3A23%5D%5BN%3A13%5D(%5BC%3A4%5D2%5BCH%3A5%5D%3D%5BCH%3A6%5D%5BC%3A7%5D3%5BC%3A12%5D(%3D%5BCH%3A11%5D%5BCH%3A10%5D%3D%5BCH%3A9%5D%5BCH%3A8%5D%3D3)%5BN%3A3%5D%3D2)%5BCH2%3A14%5D%5BCH2%3A15%5D%5BCH2%3A16%5D%5BNH2%3A17%5D)%3D%5BCH%3A21%5D%5BCH%3A20%5D%3D1&w=100&h=80)
![[Br:35][C:32]1[CH:33]=[CH:34][C:29]([CH2:28][N:17]([CH2:16][CH2:15][CH2:14][NH:13][C:10]([NH:44][CH2:43][CH2:42][CH2:41][C:39]2[N:38]=[CH:37][NH:36][CH:40]=2)=[N:9][C:1](=[O:8])[C:2]2[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=2)[C:18]2[CH:27]=[CH:26][C:25]3[C:20](=[CH:21][CH:22]=[CH:23][CH:24]=3)[N:19]=2)=[CH:30][CH:31]=1](/api/mol/svg?smiles=%5BBr%3A35%5D%5BC%3A32%5D1%5BCH%3A33%5D%3D%5BCH%3A34%5D%5BC%3A29%5D(%5BCH2%3A28%5D%5BN%3A17%5D(%5BCH2%3A16%5D%5BCH2%3A15%5D%5BCH2%3A14%5D%5BNH%3A13%5D%5BC%3A10%5D(%5BNH%3A44%5D%5BCH2%3A43%5D%5BCH2%3A42%5D%5BCH2%3A41%5D%5BC%3A39%5D2%5BN%3A38%5D%3D%5BCH%3A37%5D%5BNH%3A36%5D%5BCH%3A40%5D%3D2)%3D%5BN%3A9%5D%5BC%3A1%5D(%3D%5BO%3A8%5D)%5BC%3A2%5D2%5BCH%3A7%5D%3D%5BCH%3A6%5D%5BCH%3A5%5D%3D%5BCH%3A4%5D%5BCH%3A3%5D%3D2)%5BC%3A18%5D2%5BCH%3A27%5D%3D%5BCH%3A26%5D%5BC%3A25%5D3%5BC%3A20%5D(%3D%5BCH%3A21%5D%5BCH%3A22%5D%3D%5BCH%3A23%5D%5BCH%3A24%5D%3D3)%5BN%3A19%5D%3D2)%3D%5BCH%3A30%5D%5BCH%3A31%5D%3D1&w=100&h=80)
![[BrH:12]](/api/mol/svg?smiles=%5BBrH%3A12%5D&w=100&h=80)
![[S:12]1[CH:13]=[CH:14][N:15]=[C:11]1[NH:10][C:7]([CH:1]1[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1)=[O:8]](/api/mol/svg?smiles=%5BS%3A12%5D1%5BCH%3A13%5D%3D%5BCH%3A14%5D%5BN%3A15%5D%3D%5BC%3A11%5D1%5BNH%3A10%5D%5BC%3A7%5D(%5BCH%3A1%5D1%5BCH2%3A6%5D%5BCH2%3A5%5D%5BCH2%3A4%5D%5BCH2%3A3%5D%5BCH2%3A2%5D1)%3D%5BO%3A8%5D&w=100&h=80)
([O-:13])=[O:12]](/api/mol/svg?smiles=%5BN%2B%3A11%5D(%5BC%3A14%5D1%5BC%3A15%5D2%5BO%3A21%5D%5BCH2%3A3%5D%5BCH2%3A2%5D%5BO%3A17%5D%5BC%3A16%5D%3D2%5BCH%3A18%5D%3D%5BCH%3A19%5D%5BCH%3A20%5D%3D1)(%5BO-%3A13%5D)%3D%5BO%3A12%5D&w=100&h=80)
![[O:13]1[C:12]2[CH:11]=[CH:10][CH:9]=[C:8]([NH2:5])[C:17]=2[O:16][CH2:15][CH2:14]1](/api/mol/svg?smiles=%5BO%3A13%5D1%5BC%3A12%5D2%5BCH%3A11%5D%3D%5BCH%3A10%5D%5BCH%3A9%5D%3D%5BC%3A8%5D(%5BNH2%3A5%5D)%5BC%3A17%5D%3D2%5BO%3A16%5D%5BCH2%3A15%5D%5BCH2%3A14%5D1&w=100&h=80)
![[O:1]1[C:6]2[CH:7]=[CH:8][CH:9]=[C:10]([N:11]3[CH2:18][CH2:17][NH:16][CH2:15][CH2:14]3)[C:5]=2[O:4][CH2:3][CH2:2]1](/api/mol/svg?smiles=%5BO%3A1%5D1%5BC%3A6%5D2%5BCH%3A7%5D%3D%5BCH%3A8%5D%5BCH%3A9%5D%3D%5BC%3A10%5D(%5BN%3A11%5D3%5BCH2%3A18%5D%5BCH2%3A17%5D%5BNH%3A16%5D%5BCH2%3A15%5D%5BCH2%3A14%5D3)%5BC%3A5%5D%3D2%5BO%3A4%5D%5BCH2%3A3%5D%5BCH2%3A2%5D1&w=100&h=80)
[CH:5]=[CH:4][N:3]=2)[CH2:21][CH2:20]1)[C:13]1[CH:14]=[CH:15][CH:16]=[CH:17][CH:18]=1](/api/mol/svg?smiles=%5BCH2%3A12%5D(%5BN%3A19%5D1%5BCH2%3A24%5D%5BCH2%3A23%5D%5BN%3A22%5D(%5BC%3A2%5D2%5BC%3A11%5D3%5BC%3A6%5D(%3D%5BCH%3A7%5D%5BCH%3A8%5D%3D%5BCH%3A9%5D%5BCH%3A10%5D%3D3)%5BCH%3A5%5D%3D%5BCH%3A4%5D%5BN%3A3%5D%3D2)%5BCH2%3A21%5D%5BCH2%3A20%5D1)%5BC%3A13%5D1%5BCH%3A14%5D%3D%5BCH%3A15%5D%5BCH%3A16%5D%3D%5BCH%3A17%5D%5BCH%3A18%5D%3D1&w=100&h=80)
![[N:15]1([C:18]2[C:27]3[C:22](=[CH:23][CH:24]=[CH:25][CH:26]=3)[CH:21]=[CH:20][N:19]=2)[CH2:14][CH2:13][NH:12][CH2:17][CH2:16]1](/api/mol/svg?smiles=%5BN%3A15%5D1(%5BC%3A18%5D2%5BC%3A27%5D3%5BC%3A22%5D(%3D%5BCH%3A23%5D%5BCH%3A24%5D%3D%5BCH%3A25%5D%5BCH%3A26%5D%3D3)%5BCH%3A21%5D%3D%5BCH%3A20%5D%5BN%3A19%5D%3D2)%5BCH2%3A14%5D%5BCH2%3A13%5D%5BNH%3A12%5D%5BCH2%3A17%5D%5BCH2%3A16%5D1&w=100&h=80)
![[CH3:5][O:6][C:7]1[CH:12]=[CH:11][CH:10]=[CH:9][C:8]=1[N:13]1[CH2:18][CH2:17][N:16]([CH2:3][CH2:2][C:1]#[N:4])[CH2:15][CH2:14]1](/api/mol/svg?smiles=%5BCH3%3A5%5D%5BO%3A6%5D%5BC%3A7%5D1%5BCH%3A12%5D%3D%5BCH%3A11%5D%5BCH%3A10%5D%3D%5BCH%3A9%5D%5BC%3A8%5D%3D1%5BN%3A13%5D1%5BCH2%3A18%5D%5BCH2%3A17%5D%5BN%3A16%5D(%5BCH2%3A3%5D%5BCH2%3A2%5D%5BC%3A1%5D%23%5BN%3A4%5D)%5BCH2%3A15%5D%5BCH2%3A14%5D1&w=100&h=80)
![[CH3:1][O:2][C:3]1[CH:8]=[CH:7][CH:6]=[CH:5][C:4]=1[N:9]1[CH2:10][CH2:11][N:12]([CH2:15][CH2:16][CH2:17][NH2:18])[CH2:13][CH2:14]1](/api/mol/svg?smiles=%5BCH3%3A1%5D%5BO%3A2%5D%5BC%3A3%5D1%5BCH%3A8%5D%3D%5BCH%3A7%5D%5BCH%3A6%5D%3D%5BCH%3A5%5D%5BC%3A4%5D%3D1%5BN%3A9%5D1%5BCH2%3A10%5D%5BCH2%3A11%5D%5BN%3A12%5D(%5BCH2%3A15%5D%5BCH2%3A16%5D%5BCH2%3A17%5D%5BNH2%3A18%5D)%5BCH2%3A13%5D%5BCH2%3A14%5D1&w=100&h=80)
![[CH3:1][O:2][C:3]1[CH:8]=[CH:7][CH:6]=[CH:5][C:4]=1[N:9]1[CH2:10][CH2:11][N:12]([CH2:15][CH2:16][CH2:17][NH:18][C:20]2[CH:25]=[CH:24][CH:23]=[CH:22][N:21]=2)[CH2:13][CH2:14]1](/api/mol/svg?smiles=%5BCH3%3A1%5D%5BO%3A2%5D%5BC%3A3%5D1%5BCH%3A8%5D%3D%5BCH%3A7%5D%5BCH%3A6%5D%3D%5BCH%3A5%5D%5BC%3A4%5D%3D1%5BN%3A9%5D1%5BCH2%3A10%5D%5BCH2%3A11%5D%5BN%3A12%5D(%5BCH2%3A15%5D%5BCH2%3A16%5D%5BCH2%3A17%5D%5BNH%3A18%5D%5BC%3A20%5D2%5BCH%3A25%5D%3D%5BCH%3A24%5D%5BCH%3A23%5D%3D%5BCH%3A22%5D%5BN%3A21%5D%3D2)%5BCH2%3A13%5D%5BCH2%3A14%5D1&w=100&h=80)
![[N:20]1[C:21]2[C:26](=[CH:25][CH:24]=[CH:23][CH:22]=2)[CH:27]=[CH:28][C:19]=1[NH:1][CH2:2][CH2:3][N:4]1[CH2:5][CH2:6][N:7]([C:10]2[CH:15]=[CH:14][CH:13]=[CH:12][C:11]=2[O:16][CH3:17])[CH2:8][CH2:9]1](/api/mol/svg?smiles=%5BN%3A20%5D1%5BC%3A21%5D2%5BC%3A26%5D(%3D%5BCH%3A25%5D%5BCH%3A24%5D%3D%5BCH%3A23%5D%5BCH%3A22%5D%3D2)%5BCH%3A27%5D%3D%5BCH%3A28%5D%5BC%3A19%5D%3D1%5BNH%3A1%5D%5BCH2%3A2%5D%5BCH2%3A3%5D%5BN%3A4%5D1%5BCH2%3A5%5D%5BCH2%3A6%5D%5BN%3A7%5D(%5BC%3A10%5D2%5BCH%3A15%5D%3D%5BCH%3A14%5D%5BCH%3A13%5D%3D%5BCH%3A12%5D%5BC%3A11%5D%3D2%5BO%3A16%5D%5BCH3%3A17%5D)%5BCH2%3A8%5D%5BCH2%3A9%5D1&w=100&h=80)
![[N:11]1[C:12]2[C:17](=[CH:16][CH:15]=[CH:14][CH:13]=2)[CH:18]=[CH:19][C:10]=1[CH2:9][N:6]1[CH2:7][CH2:8][NH:3][CH2:4][CH2:5]1](/api/mol/svg?smiles=%5BN%3A11%5D1%5BC%3A12%5D2%5BC%3A17%5D(%3D%5BCH%3A16%5D%5BCH%3A15%5D%3D%5BCH%3A14%5D%5BCH%3A13%5D%3D2)%5BCH%3A18%5D%3D%5BCH%3A19%5D%5BC%3A10%5D%3D1%5BCH2%3A9%5D%5BN%3A6%5D1%5BCH2%3A7%5D%5BCH2%3A8%5D%5BNH%3A3%5D%5BCH2%3A4%5D%5BCH2%3A5%5D1&w=100&h=80)
![[N:5]1[C:6]2[C:11](=[CH:10][CH:9]=[CH:8][CH:7]=2)[CH:12]=[CH:13][C:4]=1[CH2:3][N:21]1[CH2:27][CH2:26][CH2:25][NH:24][CH2:23][CH2:22]1](/api/mol/svg?smiles=%5BN%3A5%5D1%5BC%3A6%5D2%5BC%3A11%5D(%3D%5BCH%3A10%5D%5BCH%3A9%5D%3D%5BCH%3A8%5D%5BCH%3A7%5D%3D2)%5BCH%3A12%5D%3D%5BCH%3A13%5D%5BC%3A4%5D%3D1%5BCH2%3A3%5D%5BN%3A21%5D1%5BCH2%3A27%5D%5BCH2%3A26%5D%5BCH2%3A25%5D%5BNH%3A24%5D%5BCH2%3A23%5D%5BCH2%3A22%5D1&w=100&h=80)
![[Cl:17][CH2:16][CH2:15][CH2:14][O:1][C:2]1[CH:12]=[CH:11][C:5]2[NH:6][C:7](=[O:10])[CH2:8][S:9][C:4]=2[CH:3]=1](/api/mol/svg?smiles=%5BCl%3A17%5D%5BCH2%3A16%5D%5BCH2%3A15%5D%5BCH2%3A14%5D%5BO%3A1%5D%5BC%3A2%5D1%5BCH%3A12%5D%3D%5BCH%3A11%5D%5BC%3A5%5D2%5BNH%3A6%5D%5BC%3A7%5D(%3D%5BO%3A10%5D)%5BCH2%3A8%5D%5BS%3A9%5D%5BC%3A4%5D%3D2%5BCH%3A3%5D%3D1&w=100&h=80)
![[Cl:28][CH2:27][CH2:26][CH2:25][N:15]1[CH2:16][CH2:17][N:12]([CH2:11][C:2]2[CH:3]=[CH:4][C:5]3[C:10](=[CH:9][CH:8]=[CH:7][CH:6]=3)[N:1]=2)[CH2:13][CH2:14]1](/api/mol/svg?smiles=%5BCl%3A28%5D%5BCH2%3A27%5D%5BCH2%3A26%5D%5BCH2%3A25%5D%5BN%3A15%5D1%5BCH2%3A16%5D%5BCH2%3A17%5D%5BN%3A12%5D(%5BCH2%3A11%5D%5BC%3A2%5D2%5BCH%3A3%5D%3D%5BCH%3A4%5D%5BC%3A5%5D3%5BC%3A10%5D(%3D%5BCH%3A9%5D%5BCH%3A8%5D%3D%5BCH%3A7%5D%5BCH%3A6%5D%3D3)%5BN%3A1%5D%3D2)%5BCH2%3A13%5D%5BCH2%3A14%5D1&w=100&h=80)
![[ClH:3]](/api/mol/svg?smiles=%5BClH%3A3%5D&w=100&h=80)
![[ClH:1]](/api/mol/svg?smiles=%5BClH%3A1%5D&w=100&h=80)
![[N:2]1[C:11]2[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=2)[CH:5]=[CH:4][C:3]=1[C:12]([N:14]1[CH2:19][CH2:18][NH:17][CH2:16][CH2:15]1)=[O:13]](/api/mol/svg?smiles=%5BN%3A2%5D1%5BC%3A11%5D2%5BC%3A6%5D(%3D%5BCH%3A7%5D%5BCH%3A8%5D%3D%5BCH%3A9%5D%5BCH%3A10%5D%3D2)%5BCH%3A5%5D%3D%5BCH%3A4%5D%5BC%3A3%5D%3D1%5BC%3A12%5D(%5BN%3A14%5D1%5BCH2%3A19%5D%5BCH2%3A18%5D%5BNH%3A17%5D%5BCH2%3A16%5D%5BCH2%3A15%5D1)%3D%5BO%3A13%5D&w=100&h=80)
Dataset #87
反应 #452468
收率 97.3%DOI: 10.6084/m9.figshare.5104873.v1
反应 #452469
收率 58.0%DOI: 10.6084/m9.figshare.5104873.v1
反应 #452470
收率 75.0%DOI: 10.6084/m9.figshare.5104873.v1
反应 #452471
收率 72.8%DOI: 10.6084/m9.figshare.5104873.v1
反应 #452472
收率 32.7%DOI: 10.6084/m9.figshare.5104873.v1
反应 #452473
收率 74.0%DOI: 10.6084/m9.figshare.5104873.v1
反应 #452474
收率 90.8%DOI: 10.6084/m9.figshare.5104873.v1
反应 #452475
收率 40.6%DOI: 10.6084/m9.figshare.5104873.v1
反应 #452476
DOI: 10.6084/m9.figshare.5104873.v1
反应 #452477
收率 91.7%DOI: 10.6084/m9.figshare.5104873.v1
反应 #452478
收率 86.9%DOI: 10.6084/m9.figshare.5104873.v1
反应 #452479
收率 13.4%DOI: 10.6084/m9.figshare.5104873.v1
反应 #452480
收率 12.4%DOI: 10.6084/m9.figshare.5104873.v1
反应 #452481
收率 97.6%DOI: 10.6084/m9.figshare.5104873.v1
反应 #452482
收率 39.3%DOI: 10.6084/m9.figshare.5104873.v1
反应 #452483
收率 50.4%DOI: 10.6084/m9.figshare.5104873.v1
反应 #452484
收率 65.7%DOI: 10.6084/m9.figshare.5104873.v1
反应 #452485
收率 97.5%DOI: 10.6084/m9.figshare.5104873.v1
反应 #452486
收率 77.7%DOI: 10.6084/m9.figshare.5104873.v1
反应 #452487
收率 79.1%DOI: 10.6084/m9.figshare.5104873.v1