← 浏览数据集![[Br:1][C:2]1[CH:3]=[CH:4][C:5]([N:15]2[CH:16]=[C:12]([CH3:11])[N:13]=[CH:14]2)=[C:6]([CH:9]=1)[C:7]#[N:8]](/api/mol/svg?smiles=%5BBr%3A1%5D%5BC%3A2%5D1%5BCH%3A3%5D%3D%5BCH%3A4%5D%5BC%3A5%5D(%5BN%3A15%5D2%5BCH%3A16%5D%3D%5BC%3A12%5D(%5BCH3%3A11%5D)%5BN%3A13%5D%3D%5BCH%3A14%5D2)%3D%5BC%3A6%5D(%5BCH%3A9%5D%3D1)%5BC%3A7%5D%23%5BN%3A8%5D&w=100&h=80)
![[Br:1][C:2]1[CH:3]=[CH:4][C:5]([N:10]2[C:14]([CH2:5][N:10]([CH3:14])[CH3:11])=[C:13]([CH3:15])[N:12]=[CH:11]2)=[C:6]([CH:9]=1)[C:7]#[N:8]](/api/mol/svg?smiles=%5BBr%3A1%5D%5BC%3A2%5D1%5BCH%3A3%5D%3D%5BCH%3A4%5D%5BC%3A5%5D(%5BN%3A10%5D2%5BC%3A14%5D(%5BCH2%3A5%5D%5BN%3A10%5D(%5BCH3%3A14%5D)%5BCH3%3A11%5D)%3D%5BC%3A13%5D(%5BCH3%3A15%5D)%5BN%3A12%5D%3D%5BCH%3A11%5D2)%3D%5BC%3A6%5D(%5BCH%3A9%5D%3D1)%5BC%3A7%5D%23%5BN%3A8%5D&w=100&h=80)
![[Cl:29][C:13]1[CH2:12][N:11]2[C:7](=[N:8][CH:9]=[N:10]2)[C:6]2[CH:16]=[C:2]([F:1])[CH:3]=[CH:4][C:5]=2[N:14]=1](/api/mol/svg?smiles=%5BCl%3A29%5D%5BC%3A13%5D1%5BCH2%3A12%5D%5BN%3A11%5D2%5BC%3A7%5D(%3D%5BN%3A8%5D%5BCH%3A9%5D%3D%5BN%3A10%5D2)%5BC%3A6%5D2%5BCH%3A16%5D%3D%5BC%3A2%5D(%5BF%3A1%5D)%5BCH%3A3%5D%3D%5BCH%3A4%5D%5BC%3A5%5D%3D2%5BN%3A14%5D%3D1&w=100&h=80)
![[CH3:10][C:7]1[CH:8]=[CH:9][C:2]([N:15]2[CH:16]=[C:12]([CH3:11])[N:13]=[CH:14]2)=[C:3]([CH:6]=1)[C:4]#[N:5]](/api/mol/svg?smiles=%5BCH3%3A10%5D%5BC%3A7%5D1%5BCH%3A8%5D%3D%5BCH%3A9%5D%5BC%3A2%5D(%5BN%3A15%5D2%5BCH%3A16%5D%3D%5BC%3A12%5D(%5BCH3%3A11%5D)%5BN%3A13%5D%3D%5BCH%3A14%5D2)%3D%5BC%3A3%5D(%5BCH%3A6%5D%3D1)%5BC%3A4%5D%23%5BN%3A5%5D&w=100&h=80)
![[CH3:16][N:17]([CH2:19][C:14]1[N:10]([C:5]2[CH:4]=[CH:3][C:2]([CH3:1])=[CH:9][C:6]=2[C:7]#[N:8])[CH:11]=[N:12][C:13]=1[CH3:15])[CH3:18]](/api/mol/svg?smiles=%5BCH3%3A16%5D%5BN%3A17%5D(%5BCH2%3A19%5D%5BC%3A14%5D1%5BN%3A10%5D(%5BC%3A5%5D2%5BCH%3A4%5D%3D%5BCH%3A3%5D%5BC%3A2%5D(%5BCH3%3A1%5D)%3D%5BCH%3A9%5D%5BC%3A6%5D%3D2%5BC%3A7%5D%23%5BN%3A8%5D)%5BCH%3A11%5D%3D%5BN%3A12%5D%5BC%3A13%5D%3D1%5BCH3%3A15%5D)%5BCH3%3A18%5D&w=100&h=80)
![[CH3:11][O:10][C:7]1[CH:8]=[CH:9][C:2]([N:16]2[CH:17]=[C:13]([CH3:12])[N:14]=[CH:15]2)=[C:3]([CH:6]=1)[C:4]#[N:5]](/api/mol/svg?smiles=%5BCH3%3A11%5D%5BO%3A10%5D%5BC%3A7%5D1%5BCH%3A8%5D%3D%5BCH%3A9%5D%5BC%3A2%5D(%5BN%3A16%5D2%5BCH%3A17%5D%3D%5BC%3A13%5D(%5BCH3%3A12%5D)%5BN%3A14%5D%3D%5BCH%3A15%5D2)%3D%5BC%3A3%5D(%5BCH%3A6%5D%3D1)%5BC%3A4%5D%23%5BN%3A5%5D&w=100&h=80)
![[CH3:17][N:18]([CH2:20][C:15]1[N:11]([C:6]2[CH:5]=[CH:4][C:3]([O:2][CH3:1])=[CH:10][C:7]=2[C:8]#[N:9])[CH:12]=[N:13][C:14]=1[CH3:16])[CH3:19]](/api/mol/svg?smiles=%5BCH3%3A17%5D%5BN%3A18%5D(%5BCH2%3A20%5D%5BC%3A15%5D1%5BN%3A11%5D(%5BC%3A6%5D2%5BCH%3A5%5D%3D%5BCH%3A4%5D%5BC%3A3%5D(%5BO%3A2%5D%5BCH3%3A1%5D)%3D%5BCH%3A10%5D%5BC%3A7%5D%3D2%5BC%3A8%5D%23%5BN%3A9%5D)%5BCH%3A12%5D%3D%5BN%3A13%5D%5BC%3A14%5D%3D1%5BCH3%3A16%5D)%5BCH3%3A19%5D&w=100&h=80)
![[F:11][C:10]([F:13])([F:12])[C:7]1[CH:8]=[CH:9][C:2]([N:18]2[CH:19]=[C:15]([CH3:14])[N:16]=[CH:17]2)=[C:3]([CH:6]=1)[C:4]#[N:5]](/api/mol/svg?smiles=%5BF%3A11%5D%5BC%3A10%5D(%5BF%3A13%5D)(%5BF%3A12%5D)%5BC%3A7%5D1%5BCH%3A8%5D%3D%5BCH%3A9%5D%5BC%3A2%5D(%5BN%3A18%5D2%5BCH%3A19%5D%3D%5BC%3A15%5D(%5BCH3%3A14%5D)%5BN%3A16%5D%3D%5BCH%3A17%5D2)%3D%5BC%3A3%5D(%5BCH%3A6%5D%3D1)%5BC%3A4%5D%23%5BN%3A5%5D&w=100&h=80)
![[F:18][C:2]([F:1])([F:17])[C:3]1[CH:4]=[CH:5][C:6]([N:11]2[C:15]([CH2:19][N:20]([CH3:22])[CH3:21])=[C:14]([CH3:16])[N:13]=[CH:12]2)=[C:7]([CH:10]=1)[C:8]#[N:9]](/api/mol/svg?smiles=%5BF%3A18%5D%5BC%3A2%5D(%5BF%3A1%5D)(%5BF%3A17%5D)%5BC%3A3%5D1%5BCH%3A4%5D%3D%5BCH%3A5%5D%5BC%3A6%5D(%5BN%3A11%5D2%5BC%3A15%5D(%5BCH2%3A19%5D%5BN%3A20%5D(%5BCH3%3A22%5D)%5BCH3%3A21%5D)%3D%5BC%3A14%5D(%5BCH3%3A16%5D)%5BN%3A13%5D%3D%5BCH%3A12%5D2)%3D%5BC%3A7%5D(%5BCH%3A10%5D%3D1)%5BC%3A8%5D%23%5BN%3A9%5D&w=100&h=80)
![[CH3:13][C:14]1[N:15]=[CH:16][N:17]([C:2]2[CH:9]=[CH:8][C:7]([N+:10]([O-:12])=[O:11])=[CH:6][C:3]=2[C:4]#[N:5])[CH:18]=1](/api/mol/svg?smiles=%5BCH3%3A13%5D%5BC%3A14%5D1%5BN%3A15%5D%3D%5BCH%3A16%5D%5BN%3A17%5D(%5BC%3A2%5D2%5BCH%3A9%5D%3D%5BCH%3A8%5D%5BC%3A7%5D(%5BN%2B%3A10%5D(%5BO-%3A12%5D)%3D%5BO%3A11%5D)%3D%5BCH%3A6%5D%5BC%3A3%5D%3D2%5BC%3A4%5D%23%5BN%3A5%5D)%5BCH%3A18%5D%3D1&w=100&h=80)
![[CH3:18][N:19]([CH2:21][C:6]1[N:5]([C:7]2[CH:14]=[CH:13][C:12]([N+:15]([O-:17])=[O:16])=[CH:11][C:8]=2[C:9]#[N:10])[CH:4]=[N:3][C:2]=1[CH3:1])[CH3:20]](/api/mol/svg?smiles=%5BCH3%3A18%5D%5BN%3A19%5D(%5BCH2%3A21%5D%5BC%3A6%5D1%5BN%3A5%5D(%5BC%3A7%5D2%5BCH%3A14%5D%3D%5BCH%3A13%5D%5BC%3A12%5D(%5BN%2B%3A15%5D(%5BO-%3A17%5D)%3D%5BO%3A16%5D)%3D%5BCH%3A11%5D%5BC%3A8%5D%3D2%5BC%3A9%5D%23%5BN%3A10%5D)%5BCH%3A4%5D%3D%5BN%3A3%5D%5BC%3A2%5D%3D1%5BCH3%3A1%5D)%5BCH3%3A20%5D&w=100&h=80)
![[F:1][C:2]1[CH:3]=[CH:4][C:5]([O:8][C:9]([F:10])([F:11])[F:12])=[CH:6][C:7]=1[CH:18]=[O:19]](/api/mol/svg?smiles=%5BF%3A1%5D%5BC%3A2%5D1%5BCH%3A3%5D%3D%5BCH%3A4%5D%5BC%3A5%5D(%5BO%3A8%5D%5BC%3A9%5D(%5BF%3A10%5D)(%5BF%3A11%5D)%5BF%3A12%5D)%3D%5BCH%3A6%5D%5BC%3A7%5D%3D1%5BCH%3A18%5D%3D%5BO%3A19%5D&w=100&h=80)
![[F:1][C:2]1[CH:9]=[CH:8][C:7]([O:10][C:11]([F:14])([F:13])[F:12])=[CH:6][C:3]=1/[CH:4]=[N:16]/[OH:17]](/api/mol/svg?smiles=%5BF%3A1%5D%5BC%3A2%5D1%5BCH%3A9%5D%3D%5BCH%3A8%5D%5BC%3A7%5D(%5BO%3A10%5D%5BC%3A11%5D(%5BF%3A14%5D)(%5BF%3A13%5D)%5BF%3A12%5D)%3D%5BCH%3A6%5D%5BC%3A3%5D%3D1%2F%5BCH%3A4%5D%3D%5BN%3A16%5D%2F%5BOH%3A17%5D&w=100&h=80)
![[F:1][C:2]1[CH:10]=[CH:9][C:8]([O:11][C:12]([F:13])([F:14])[F:15])=[CH:7][C:3]=1[C:4]#[N:5]](/api/mol/svg?smiles=%5BF%3A1%5D%5BC%3A2%5D1%5BCH%3A10%5D%3D%5BCH%3A9%5D%5BC%3A8%5D(%5BO%3A11%5D%5BC%3A12%5D(%5BF%3A13%5D)(%5BF%3A14%5D)%5BF%3A15%5D)%3D%5BCH%3A7%5D%5BC%3A3%5D%3D1%5BC%3A4%5D%23%5BN%3A5%5D&w=100&h=80)
![[F:12][C:11]([F:14])([F:13])[O:10][C:7]1[CH:8]=[CH:9][C:2]([N:19]2[CH:20]=[C:16]([CH3:15])[N:17]=[CH:18]2)=[C:3]([CH:6]=1)[C:4]#[N:5]](/api/mol/svg?smiles=%5BF%3A12%5D%5BC%3A11%5D(%5BF%3A14%5D)(%5BF%3A13%5D)%5BO%3A10%5D%5BC%3A7%5D1%5BCH%3A8%5D%3D%5BCH%3A9%5D%5BC%3A2%5D(%5BN%3A19%5D2%5BCH%3A20%5D%3D%5BC%3A16%5D(%5BCH3%3A15%5D)%5BN%3A17%5D%3D%5BCH%3A18%5D2)%3D%5BC%3A3%5D(%5BCH%3A6%5D%3D1)%5BC%3A4%5D%23%5BN%3A5%5D&w=100&h=80)
![[CH3:20][N:21]([CH2:23][C:16]1[N:12]([C:7]2[CH:6]=[CH:5][C:4]([O:3][C:2]([F:1])([F:18])[F:19])=[CH:11][C:8]=2[C:9]#[N:10])[CH:13]=[N:14][C:15]=1[CH3:17])[CH3:22]](/api/mol/svg?smiles=%5BCH3%3A20%5D%5BN%3A21%5D(%5BCH2%3A23%5D%5BC%3A16%5D1%5BN%3A12%5D(%5BC%3A7%5D2%5BCH%3A6%5D%3D%5BCH%3A5%5D%5BC%3A4%5D(%5BO%3A3%5D%5BC%3A2%5D(%5BF%3A1%5D)(%5BF%3A18%5D)%5BF%3A19%5D)%3D%5BCH%3A11%5D%5BC%3A8%5D%3D2%5BC%3A9%5D%23%5BN%3A10%5D)%5BCH%3A13%5D%3D%5BN%3A14%5D%5BC%3A15%5D%3D1%5BCH3%3A17%5D)%5BCH3%3A22%5D&w=100&h=80)
![[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([N:15]2[CH:16]=[C:12]([CH3:11])[N:13]=[CH:14]2)=[C:6]([CH:9]=1)[C:7]#[N:8]](/api/mol/svg?smiles=%5BCl%3A1%5D%5BC%3A2%5D1%5BCH%3A3%5D%3D%5BCH%3A4%5D%5BC%3A5%5D(%5BN%3A15%5D2%5BCH%3A16%5D%3D%5BC%3A12%5D(%5BCH3%3A11%5D)%5BN%3A13%5D%3D%5BCH%3A14%5D2)%3D%5BC%3A6%5D(%5BCH%3A9%5D%3D1)%5BC%3A7%5D%23%5BN%3A8%5D&w=100&h=80)
![[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([N:10]2[C:14]([CH2:16][N:17]([CH3:19])[CH3:18])=[C:13]([CH3:15])[N:12]=[CH:11]2)=[C:6]([CH:9]=1)[C:7]#[N:8]](/api/mol/svg?smiles=%5BCl%3A1%5D%5BC%3A2%5D1%5BCH%3A3%5D%3D%5BCH%3A4%5D%5BC%3A5%5D(%5BN%3A10%5D2%5BC%3A14%5D(%5BCH2%3A16%5D%5BN%3A17%5D(%5BCH3%3A19%5D)%5BCH3%3A18%5D)%3D%5BC%3A13%5D(%5BCH3%3A15%5D)%5BN%3A12%5D%3D%5BCH%3A11%5D2)%3D%5BC%3A6%5D(%5BCH%3A9%5D%3D1)%5BC%3A7%5D%23%5BN%3A8%5D&w=100&h=80)
![[F:10][C:7]1[CH:8]=[CH:9][C:2]([N:15]2[CH:16]=[C:12]([CH3:11])[N:13]=[CH:14]2)=[C:3]([CH:6]=1)[C:4]#[N:5]](/api/mol/svg?smiles=%5BF%3A10%5D%5BC%3A7%5D1%5BCH%3A8%5D%3D%5BCH%3A9%5D%5BC%3A2%5D(%5BN%3A15%5D2%5BCH%3A16%5D%3D%5BC%3A12%5D(%5BCH3%3A11%5D)%5BN%3A13%5D%3D%5BCH%3A14%5D2)%3D%5BC%3A3%5D(%5BCH%3A6%5D%3D1)%5BC%3A4%5D%23%5BN%3A5%5D&w=100&h=80)
![[CH3:16][N:17]([CH2:19][C:14]1[N:10]([C:5]2[CH:4]=[CH:3][C:2]([F:1])=[CH:9][C:6]=2[C:7]#[N:8])[CH:11]=[N:12][C:13]=1[CH3:15])[CH3:18]](/api/mol/svg?smiles=%5BCH3%3A16%5D%5BN%3A17%5D(%5BCH2%3A19%5D%5BC%3A14%5D1%5BN%3A10%5D(%5BC%3A5%5D2%5BCH%3A4%5D%3D%5BCH%3A3%5D%5BC%3A2%5D(%5BF%3A1%5D)%3D%5BCH%3A9%5D%5BC%3A6%5D%3D2%5BC%3A7%5D%23%5BN%3A8%5D)%5BCH%3A11%5D%3D%5BN%3A12%5D%5BC%3A13%5D%3D1%5BCH3%3A15%5D)%5BCH3%3A18%5D&w=100&h=80)
Dataset #497
反应 #2200615
收率 59.1%DOI: 10.6084/m9.figshare.5104873.v1
反应 #2200616
DOI: 10.6084/m9.figshare.5104873.v1
反应 #2200617
收率 81.3%DOI: 10.6084/m9.figshare.5104873.v1
反应 #2200618
收率 48.0%DOI: 10.6084/m9.figshare.5104873.v1
反应 #2200619
收率 64.0%DOI: 10.6084/m9.figshare.5104873.v1
反应 #2200620
收率 72.0%DOI: 10.6084/m9.figshare.5104873.v1
反应 #2200621
收率 83.0%DOI: 10.6084/m9.figshare.5104873.v1
反应 #2200622
收率 85.0%DOI: 10.6084/m9.figshare.5104873.v1
反应 #2200623
收率 53.0%DOI: 10.6084/m9.figshare.5104873.v1
反应 #2200624
收率 69.0%DOI: 10.6084/m9.figshare.5104873.v1
反应 #2200625
收率 35.0%DOI: 10.6084/m9.figshare.5104873.v1
反应 #2200626
收率 53.0%DOI: 10.6084/m9.figshare.5104873.v1
反应 #2200627
收率 88.0%DOI: 10.6084/m9.figshare.5104873.v1
反应 #2200628
收率 83.0%DOI: 10.6084/m9.figshare.5104873.v1
反应 #2200629
收率 100.0%DOI: 10.6084/m9.figshare.5104873.v1
反应 #2200630
收率 38.0%DOI: 10.6084/m9.figshare.5104873.v1
反应 #2200631
收率 63.0%DOI: 10.6084/m9.figshare.5104873.v1
反应 #2200632
收率 17.0%DOI: 10.6084/m9.figshare.5104873.v1
反应 #2200633
收率 41.0%DOI: 10.6084/m9.figshare.5104873.v1
反应 #2200634
收率 34.0%DOI: 10.6084/m9.figshare.5104873.v1