← Browse datasets[CH:16]=[CH:15][N:14]=2)=[CH:7][CH:6]=1)[CH2:2][CH2:3][CH3:4]](/api/mol/svg?smiles=%5BCH2%3A1%5D(%5BC%3A5%5D1%5BCH%3A10%5D%3D%5BCH%3A9%5D%5BC%3A8%5D(%5BCH2%3A11%5D%5BC%3A13%5D2%5BC%3A22%5D3%5BC%3A17%5D(%3D%5BCH%3A18%5D%5BCH%3A19%5D%3D%5BCH%3A20%5D%5BCH%3A21%5D%3D3)%5BCH%3A16%5D%3D%5BCH%3A15%5D%5BN%3A14%5D%3D2)%3D%5BCH%3A7%5D%5BCH%3A6%5D%3D1)%5BCH2%3A2%5D%5BCH2%3A3%5D%5BCH3%3A4%5D&w=100&h=80)
=[CH:13][CH:12]=1)[CH2:9][CH3:10]](/api/mol/svg?smiles=%5BCH2%3A8%5D(%5BC%3A11%5D1%5BCH%3A19%5D%3D%5BCH%3A18%5D%5BC%3A14%5D(%5BCH2%3A15%5D%5BOH%3A16%5D)%3D%5BCH%3A13%5D%5BCH%3A12%5D%3D1)%5BCH2%3A9%5D%5BCH3%3A10%5D&w=100&h=80)
![[Cl:5][CH2:16][C:15]1[CH:18]=[CH:19][CH:20]=[CH:21][C:14]=1[I:13]](/api/mol/svg?smiles=%5BCl%3A5%5D%5BCH2%3A16%5D%5BC%3A15%5D1%5BCH%3A18%5D%3D%5BCH%3A19%5D%5BCH%3A20%5D%3D%5BCH%3A21%5D%5BC%3A14%5D%3D1%5BI%3A13%5D&w=100&h=80)
![[C:3]1([C:1]#[C:2][C:10]2[CH:4]=[CH:3][CH:1]=[CH:2][C:11]=2[CH2:12][C:13]2[C:8]3[C:3](=[CH:4][CH:5]=[CH:6][CH:7]=3)[CH:1]=[CH:2][N:9]=2)[CH:8]=[CH:7][CH:6]=[CH:5][CH:4]=1](/api/mol/svg?smiles=%5BC%3A3%5D1(%5BC%3A1%5D%23%5BC%3A2%5D%5BC%3A10%5D2%5BCH%3A4%5D%3D%5BCH%3A3%5D%5BCH%3A1%5D%3D%5BCH%3A2%5D%5BC%3A11%5D%3D2%5BCH2%3A12%5D%5BC%3A13%5D2%5BC%3A8%5D3%5BC%3A3%5D(%3D%5BCH%3A4%5D%5BCH%3A5%5D%3D%5BCH%3A6%5D%5BCH%3A7%5D%3D3)%5BCH%3A1%5D%3D%5BCH%3A2%5D%5BN%3A9%5D%3D2)%5BCH%3A8%5D%3D%5BCH%3A7%5D%5BCH%3A6%5D%3D%5BCH%3A5%5D%5BCH%3A4%5D%3D1&w=100&h=80)
![[C:15]1([C:25]([C:2]2[CH:7]=[CH:6][C:5]([O:8][CH3:9])=[CH:4][CH:3]=2)=[O:28])[C:24]2[C:19](=[CH:20][CH:21]=[CH:22][CH:23]=2)[CH:18]=[CH:17][N:16]=1](/api/mol/svg?smiles=%5BC%3A15%5D1(%5BC%3A25%5D(%5BC%3A2%5D2%5BCH%3A7%5D%3D%5BCH%3A6%5D%5BC%3A5%5D(%5BO%3A8%5D%5BCH3%3A9%5D)%3D%5BCH%3A4%5D%5BCH%3A3%5D%3D2)%3D%5BO%3A28%5D)%5BC%3A24%5D2%5BC%3A19%5D(%3D%5BCH%3A20%5D%5BCH%3A21%5D%3D%5BCH%3A22%5D%5BCH%3A23%5D%3D2)%5BCH%3A18%5D%3D%5BCH%3A17%5D%5BN%3A16%5D%3D1&w=100&h=80)
![[CH3:8][N:9]([CH2:10][C:11]#[CH:12])[S:14]([CH3:13])(=[O:16])=[O:15]](/api/mol/svg?smiles=%5BCH3%3A8%5D%5BN%3A9%5D(%5BCH2%3A10%5D%5BC%3A11%5D%23%5BCH%3A12%5D)%5BS%3A14%5D(%5BCH3%3A13%5D)(%3D%5BO%3A16%5D)%3D%5BO%3A15%5D&w=100&h=80)
![[CH3:1][N:2]([CH3:3])[C:22](=[O:28])[CH2:23][CH2:24][C:25]#[CH:26]](/api/mol/svg?smiles=%5BCH3%3A1%5D%5BN%3A2%5D(%5BCH3%3A3%5D)%5BC%3A22%5D(%3D%5BO%3A28%5D)%5BCH2%3A23%5D%5BCH2%3A24%5D%5BC%3A25%5D%23%5BCH%3A26%5D&w=100&h=80)
=[C:24]([O:30][CH2:10][O:11][CH3:12])[CH:23]=1)[C:15]1[CH:16]=[CH:17][CH:18]=[CH:19][CH:20]=1](/api/mol/svg?smiles=%5BCH2%3A14%5D(%5BO%3A21%5D%5BC%3A22%5D1%5BCH%3A29%5D%3D%5BCH%3A28%5D%5BC%3A25%5D(%5BCH%3A26%5D%3D%5BO%3A27%5D)%3D%5BC%3A24%5D(%5BO%3A30%5D%5BCH2%3A10%5D%5BO%3A11%5D%5BCH3%3A12%5D)%5BCH%3A23%5D%3D1)%5BC%3A15%5D1%5BCH%3A16%5D%3D%5BCH%3A17%5D%5BCH%3A18%5D%3D%5BCH%3A19%5D%5BCH%3A20%5D%3D1&w=100&h=80)
![[CH3:4][C:3]1([CH3:5])[O:6][CH:7]([C:17]#[C:15][C:12]2[CH:11]=[CH:9][C:8]([CH2:18][C:29]3[C:14]4[C:8](=[CH:9][CH:11]=[CH:12][CH:13]=4)[CH:15]=[CH:33][N:30]=3)=[CH:14][CH:13]=2)[CH2:1][O:2]1](/api/mol/svg?smiles=%5BCH3%3A4%5D%5BC%3A3%5D1(%5BCH3%3A5%5D)%5BO%3A6%5D%5BCH%3A7%5D(%5BC%3A17%5D%23%5BC%3A15%5D%5BC%3A12%5D2%5BCH%3A11%5D%3D%5BCH%3A9%5D%5BC%3A8%5D(%5BCH2%3A18%5D%5BC%3A29%5D3%5BC%3A14%5D4%5BC%3A8%5D(%3D%5BCH%3A9%5D%5BCH%3A11%5D%3D%5BCH%3A12%5D%5BCH%3A13%5D%3D4)%5BCH%3A15%5D%3D%5BCH%3A33%5D%5BN%3A30%5D%3D3)%3D%5BCH%3A14%5D%5BCH%3A13%5D%3D2)%5BCH2%3A1%5D%5BO%3A2%5D1&w=100&h=80)
([CH3:9])[CH3:8])(=[O:17])[CH2:13][CH2:14][C:15]#[CH:16]](/api/mol/svg?smiles=%5BC%3A12%5D(%5BO%3A18%5D%5BC%3A7%5D(%5BCH3%3A10%5D)(%5BCH3%3A9%5D)%5BCH3%3A8%5D)(%3D%5BO%3A17%5D)%5BCH2%3A13%5D%5BCH2%3A14%5D%5BC%3A15%5D%23%5BCH%3A16%5D&w=100&h=80)
=[C:15]([O:14][CH3:13])[CH:16]=2)[CH:21]1[C:1]#[N:2])(=[O:11])[C:5]1[CH:10]=[CH:9][CH:8]=[CH:7][CH:6]=1](/api/mol/svg?smiles=%5BC%3A4%5D(%5BN%3A20%5D1%5BCH%3A19%5D%3D%5BCH%3A18%5D%5BC%3A17%5D2%5BC%3A22%5D(%3D%5BCH%3A23%5D%5BC%3A24%5D(%5BO%3A25%5D%5BCH3%3A26%5D)%3D%5BC%3A15%5D(%5BO%3A14%5D%5BCH3%3A13%5D)%5BCH%3A16%5D%3D2)%5BCH%3A21%5D1%5BC%3A1%5D%23%5BN%3A2%5D)(%3D%5BO%3A11%5D)%5BC%3A5%5D1%5BCH%3A10%5D%3D%5BCH%3A9%5D%5BCH%3A8%5D%3D%5BCH%3A7%5D%5BCH%3A6%5D%3D1&w=100&h=80)
![[CH3:11][O:10][C:6]1[CH:5]=[C:4]([CH:3]([OH:12])[CH2:16][N+:13]([O-:15])=[O:14])[CH:9]=[CH:8][CH:7]=1](/api/mol/svg?smiles=%5BCH3%3A11%5D%5BO%3A10%5D%5BC%3A6%5D1%5BCH%3A5%5D%3D%5BC%3A4%5D(%5BCH%3A3%5D(%5BOH%3A12%5D)%5BCH2%3A16%5D%5BN%2B%3A13%5D(%5BO-%3A15%5D)%3D%5BO%3A14%5D)%5BCH%3A9%5D%3D%5BCH%3A8%5D%5BCH%3A7%5D%3D1&w=100&h=80)
![[NH2:15][CH2:14][CH:13]([C:9]1[CH:10]=[CH:11][CH:12]=[C:7]([O:6][CH3:5])[CH:8]=1)[OH:18]](/api/mol/svg?smiles=%5BNH2%3A15%5D%5BCH2%3A14%5D%5BCH%3A13%5D(%5BC%3A9%5D1%5BCH%3A10%5D%3D%5BCH%3A11%5D%5BCH%3A12%5D%3D%5BC%3A7%5D(%5BO%3A6%5D%5BCH3%3A5%5D)%5BCH%3A8%5D%3D1)%5BOH%3A18%5D&w=100&h=80)
[C:17]#[N:18])[CH2:7][CH2:8][CH3:21]](/api/mol/svg?smiles=%5BCH2%3A6%5D(%5BCH%3A5%5D(%5BC%3A9%5D1%5BCH%3A10%5D%3D%5BCH%3A11%5D%5BCH%3A12%5D%3D%5BCH%3A15%5D%5BCH%3A16%5D%3D1)%5BC%3A17%5D%23%5BN%3A18%5D)%5BCH2%3A7%5D%5BCH2%3A8%5D%5BCH3%3A21%5D&w=100&h=80)
=[CH:26][CH:27]=3)[CH:7]=[CH:8][N:9]=2)=[CH:13][CH:14]=1)[CH2:19][CH2:20][CH3:21]](/api/mol/svg?smiles=%5BCH2%3A18%5D(%5BC%3A15%5D1%5BCH%3A16%5D%3D%5BCH%3A17%5D%5BC%3A12%5D(%5BCH2%3A11%5D%5BC%3A10%5D2%5BC%3A28%5D3%5BC%3A23%5D(%3D%5BCH%3A24%5D%5BC%3A25%5D(%5BO%3A29%5D%5BCH3%3A30%5D)%3D%5BCH%3A26%5D%5BCH%3A27%5D%3D3)%5BCH%3A7%5D%3D%5BCH%3A8%5D%5BN%3A9%5D%3D2)%3D%5BCH%3A13%5D%5BCH%3A14%5D%3D1)%5BCH2%3A19%5D%5BCH2%3A20%5D%5BCH3%3A21%5D&w=100&h=80)
=[CH:18][CH:19]=3)[CH:14]=[CH:13][N:12]=2)=[CH:8][CH:7]=1)[CH2:3][CH2:4][CH3:5]](/api/mol/svg?smiles=%5BCH2%3A2%5D(%5BC%3A6%5D1%5BCH%3A24%5D%3D%5BCH%3A23%5D%5BC%3A9%5D(%5BCH2%3A10%5D%5BC%3A11%5D2%5BC%3A20%5D3%5BC%3A15%5D(%3D%5BCH%3A16%5D%5BC%3A17%5D(%5BOH%3A21%5D)%3D%5BCH%3A18%5D%5BCH%3A19%5D%3D3)%5BCH%3A14%5D%3D%5BCH%3A13%5D%5BN%3A12%5D%3D2)%3D%5BCH%3A8%5D%5BCH%3A7%5D%3D1)%5BCH2%3A3%5D%5BCH2%3A4%5D%5BCH3%3A5%5D&w=100&h=80)
[CH:18]=3)[CH:13]=[CH:12][N:11]=2)=[CH:7][CH:6]=1)[CH2:2][CH2:3][CH3:4]](/api/mol/svg?smiles=%5BCH2%3A1%5D(%5BC%3A5%5D1%5BCH%3A23%5D%3D%5BCH%3A22%5D%5BC%3A8%5D(%5BCH2%3A9%5D%5BC%3A10%5D2%5BC%3A19%5D3%5BC%3A14%5D(%3D%5BCH%3A15%5D%5BCH%3A16%5D%3D%5BC%3A17%5D(%5BCH2%3A20%5D%5BCH3%3A21%5D)%5BCH%3A18%5D%3D3)%5BCH%3A13%5D%3D%5BCH%3A12%5D%5BN%3A11%5D%3D2)%3D%5BCH%3A7%5D%5BCH%3A6%5D%3D1)%5BCH2%3A2%5D%5BCH2%3A3%5D%5BCH3%3A4%5D&w=100&h=80)
![[Cl:3][C:4]1[C:9]([O:10][CH2:11][O:12][CH3:13])=[CH:8][CH:7]=[CH:6][N:5]=1](/api/mol/svg?smiles=%5BCl%3A3%5D%5BC%3A4%5D1%5BC%3A9%5D(%5BO%3A10%5D%5BCH2%3A11%5D%5BO%3A12%5D%5BCH3%3A13%5D)%3D%5BCH%3A8%5D%5BCH%3A7%5D%3D%5BCH%3A6%5D%5BN%3A5%5D%3D1&w=100&h=80)
=[CH:14][CH:15]=1)[CH2:27][CH2:28][CH3:29]](/api/mol/svg?smiles=%5BCH2%3A26%5D(%5BC%3A16%5D1%5BCH%3A17%5D%3D%5BCH%3A12%5D%5BC%3A3%5D(%5BCH2%3A4%5D%5BC%3A5%5D2%5BN%3A10%5D%3D%5BCH%3A9%5D%5BCH%3A8%5D%3D%5BC%3A7%5D3%5BCH%3A20%5D%3D%5BCH%3A19%5D%5BNH%3A2%5D%5BC%3A6%5D%3D23)%3D%5BCH%3A14%5D%5BCH%3A15%5D%3D1)%5BCH2%3A27%5D%5BCH2%3A28%5D%5BCH3%3A29%5D&w=100&h=80)
![[Br:1][C:7]1[C:8]2[C:13](=[CH:12][CH:11]=[CH:10][CH:9]=2)[C:4]([OH:3])=[N:5][CH:6]=1](/api/mol/svg?smiles=%5BBr%3A1%5D%5BC%3A7%5D1%5BC%3A8%5D2%5BC%3A13%5D(%3D%5BCH%3A12%5D%5BCH%3A11%5D%3D%5BCH%3A10%5D%5BCH%3A9%5D%3D2)%5BC%3A4%5D(%5BOH%3A3%5D)%3D%5BN%3A5%5D%5BCH%3A6%5D%3D1&w=100&h=80)
Dataset #474
Reaction #2069943
Yield 55.3%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #2069944
Yield 90.1%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #2069945
Yield 100.7%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #2069946
DOI: 10.6084/m9.figshare.5104873.v1
Reaction #2069947
DOI: 10.6084/m9.figshare.5104873.v1
Reaction #2069948
DOI: 10.6084/m9.figshare.5104873.v1
Reaction #2069949
DOI: 10.6084/m9.figshare.5104873.v1
Reaction #2069950
DOI: 10.6084/m9.figshare.5104873.v1
Reaction #2069951
DOI: 10.6084/m9.figshare.5104873.v1
Reaction #2069952
DOI: 10.6084/m9.figshare.5104873.v1
Reaction #2069953
Yield 33.7%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #2069954
Yield 83.5%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #2069955
Yield 72.6%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #2069956
DOI: 10.6084/m9.figshare.5104873.v1
Reaction #2069957
Yield 15.8%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #2069958
Yield 94.6%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #2069959
Yield 10.4%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #2069960
Yield 89.0%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #2069961
DOI: 10.6084/m9.figshare.5104873.v1
Reaction #2069962
Yield 80.1%DOI: 10.6084/m9.figshare.5104873.v1