← Browse datasets![[OH:9][CH:10]([C:18]([F:21])([F:19])[F:20])[C:11]([F:16])([F:17])[S:12]([O-:15])(=[O:14])=[O:13]](/api/mol/svg?smiles=%5BOH%3A9%5D%5BCH%3A10%5D(%5BC%3A18%5D(%5BF%3A21%5D)(%5BF%3A19%5D)%5BF%3A20%5D)%5BC%3A11%5D(%5BF%3A16%5D)(%5BF%3A17%5D)%5BS%3A12%5D(%5BO-%3A15%5D)(%3D%5BO%3A14%5D)%3D%5BO%3A13%5D&w=100&h=80)
([F:11])[F:12])[C:3]([F:8])([F:9])[S:4]([O-:7])(=[O:6])=[O:5])(=[O:41])[CH3:40]](/api/mol/svg?smiles=%5BC%3A39%5D(%5BO%3A1%5D%5BCH%3A2%5D(%5BC%3A10%5D(%5BF%3A13%5D)(%5BF%3A11%5D)%5BF%3A12%5D)%5BC%3A3%5D(%5BF%3A8%5D)(%5BF%3A9%5D)%5BS%3A4%5D(%5BO-%3A7%5D)(%3D%5BO%3A6%5D)%3D%5BO%3A5%5D)(%3D%5BO%3A41%5D)%5BCH3%3A40%5D&w=100&h=80)
![[CH:24]1[C:23]2[CH:22]([CH2:21][O:20][C:18]([NH:35][CH2:36][CH2:2][C:3]([O:5][C:6]3[C:11]([F:12])=[C:10]([F:13])[CH:9]=[C:8]([F:14])[C:7]=3[F:15])=[O:4])=[O:19])[C:34]3[C:29](=[CH:30][CH:31]=[CH:32][CH:33]=3)[C:28]=2[CH:27]=[CH:26][CH:25]=1](/api/mol/svg?smiles=%5BCH%3A24%5D1%5BC%3A23%5D2%5BCH%3A22%5D(%5BCH2%3A21%5D%5BO%3A20%5D%5BC%3A18%5D(%5BNH%3A35%5D%5BCH2%3A36%5D%5BCH2%3A2%5D%5BC%3A3%5D(%5BO%3A5%5D%5BC%3A6%5D3%5BC%3A11%5D(%5BF%3A12%5D)%3D%5BC%3A10%5D(%5BF%3A13%5D)%5BCH%3A9%5D%3D%5BC%3A8%5D(%5BF%3A14%5D)%5BC%3A7%5D%3D3%5BF%3A15%5D)%3D%5BO%3A4%5D)%3D%5BO%3A19%5D)%5BC%3A34%5D3%5BC%3A29%5D(%3D%5BCH%3A30%5D%5BCH%3A31%5D%3D%5BCH%3A32%5D%5BCH%3A33%5D%3D3)%5BC%3A28%5D%3D2%5BCH%3A27%5D%3D%5BCH%3A26%5D%5BCH%3A25%5D%3D1&w=100&h=80)
![[C:13]1([CH:12]2[O:9][CH:3]([CH2:4][CH2:5][CH2:6][CH2:7][OH:8])[CH2:2][O:1]2)[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1](/api/mol/svg?smiles=%5BC%3A13%5D1(%5BCH%3A12%5D2%5BO%3A9%5D%5BCH%3A3%5D(%5BCH2%3A4%5D%5BCH2%3A5%5D%5BCH2%3A6%5D%5BCH2%3A7%5D%5BOH%3A8%5D)%5BCH2%3A2%5D%5BO%3A1%5D2)%5BCH%3A18%5D%3D%5BCH%3A17%5D%5BCH%3A16%5D%3D%5BCH%3A15%5D%5BCH%3A14%5D%3D1&w=100&h=80)
![[C:13]1([CH:19]2[O:23][CH:22]([CH2:24][CH2:25][CH2:26][CH2:27][N:52]3[C:51](=[O:53])[C:50]4=[CH:54][CH:55]=[CH:56][CH:57]=[C:49]4[C:48]3=[O:58])[CH2:21][O:20]2)[CH:14]=[CH:15][CH:16]=[CH:17][CH:18]=1](/api/mol/svg?smiles=%5BC%3A13%5D1(%5BCH%3A19%5D2%5BO%3A23%5D%5BCH%3A22%5D(%5BCH2%3A24%5D%5BCH2%3A25%5D%5BCH2%3A26%5D%5BCH2%3A27%5D%5BN%3A52%5D3%5BC%3A51%5D(%3D%5BO%3A53%5D)%5BC%3A50%5D4%3D%5BCH%3A54%5D%5BCH%3A55%5D%3D%5BCH%3A56%5D%5BCH%3A57%5D%3D%5BC%3A49%5D4%5BC%3A48%5D3%3D%5BO%3A58%5D)%5BCH2%3A21%5D%5BO%3A20%5D2)%5BCH%3A14%5D%3D%5BCH%3A15%5D%5BCH%3A16%5D%3D%5BCH%3A17%5D%5BCH%3A18%5D%3D1&w=100&h=80)
(=[O:10])[C:3]1[CH:8]=[CH:7][CH:6]=[N:5][CH:4]=1](/api/mol/svg?smiles=%5BC%3A1%5D(%5BNH2%3A2%5D)(%3D%5BO%3A10%5D)%5BC%3A3%5D1%5BCH%3A8%5D%3D%5BCH%3A7%5D%5BCH%3A6%5D%3D%5BN%3A5%5D%5BCH%3A4%5D%3D1&w=100&h=80)
![[Pt:5]](/api/mol/svg?smiles=%5BPt%3A5%5D&w=100&h=80)
![[CH3:10][C@H:11]1[CH2:16][C@@H:15]([OH:17])[C@H:14]([C:18]2([CH3:20])[O:24][CH2:19]2)[CH2:13][CH2:12]1](/api/mol/svg?smiles=%5BCH3%3A10%5D%5BC%40H%3A11%5D1%5BCH2%3A16%5D%5BC%40%40H%3A15%5D(%5BOH%3A17%5D)%5BC%40H%3A14%5D(%5BC%3A18%5D2(%5BCH3%3A20%5D)%5BO%3A24%5D%5BCH2%3A19%5D2)%5BCH2%3A13%5D%5BCH2%3A12%5D1&w=100&h=80)
[CH2:24][CH2:25][CH2:26][CH2:27][CH3:28])[CH:19]1[O:32][CH2:18]1](/api/mol/svg?smiles=%5BCH2%3A20%5D(%5BO%3A21%5D%5BCH2%3A22%5D%5BCH%3A23%5D(%5BCH2%3A29%5D%5BCH2%3A30%5D%5BCH3%3A31%5D)%5BCH2%3A24%5D%5BCH2%3A25%5D%5BCH2%3A26%5D%5BCH2%3A27%5D%5BCH3%3A28%5D)%5BCH%3A19%5D1%5BO%3A32%5D%5BCH2%3A18%5D1&w=100&h=80)
[N:25]=[C:24]([Cl:28])[C:23]=1[C:29]([NH:6][O:5][CH2:2][CH:3]=[CH2:4])=[O:30])[C:15]1[CH:16]=[CH:17][CH:18]=[CH:19][CH:20]=1](/api/mol/svg?smiles=%5BCH2%3A14%5D(%5BS%3A21%5D%5BC%3A22%5D1%5BN%3A26%5D(%5BCH3%3A27%5D)%5BN%3A25%5D%3D%5BC%3A24%5D(%5BCl%3A28%5D)%5BC%3A23%5D%3D1%5BC%3A29%5D(%5BNH%3A6%5D%5BO%3A5%5D%5BCH2%3A2%5D%5BCH%3A3%5D%3D%5BCH2%3A4%5D)%3D%5BO%3A30%5D)%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)
![[Cl:6][C:7]1[C:11]([C:12]([NH:3][OH:2])=[O:13])=[C:10]([Cl:15])[N:9]([CH3:16])[N:8]=1](/api/mol/svg?smiles=%5BCl%3A6%5D%5BC%3A7%5D1%5BC%3A11%5D(%5BC%3A12%5D(%5BNH%3A3%5D%5BOH%3A2%5D)%3D%5BO%3A13%5D)%3D%5BC%3A10%5D(%5BCl%3A15%5D)%5BN%3A9%5D(%5BCH3%3A16%5D)%5BN%3A8%5D%3D1&w=100&h=80)
=[N:9][N:10]([CH3:18])[C:11]=1[Cl:17])=[O:14])[CH:20]=[CH2:19]](/api/mol/svg?smiles=%5BCH2%3A21%5D(%5BO%3A16%5D%5BNH%3A15%5D%5BC%3A13%5D(%5BC%3A12%5D1%5BC%3A8%5D(%5BCl%3A7%5D)%3D%5BN%3A9%5D%5BN%3A10%5D(%5BCH3%3A18%5D)%5BC%3A11%5D%3D1%5BCl%3A17%5D)%3D%5BO%3A14%5D)%5BCH%3A20%5D%3D%5BCH2%3A19%5D&w=100&h=80)
[N:12]=[CH:11][C:10]=1[C:15]([NH:24][OH:23])=[O:17])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1](/api/mol/svg?smiles=%5BCH2%3A1%5D(%5BS%3A8%5D%5BC%3A9%5D1%5BN%3A13%5D(%5BCH3%3A14%5D)%5BN%3A12%5D%3D%5BCH%3A11%5D%5BC%3A10%5D%3D1%5BC%3A15%5D(%5BNH%3A24%5D%5BOH%3A23%5D)%3D%5BO%3A17%5D)%5BC%3A2%5D1%5BCH%3A7%5D%3D%5BCH%3A6%5D%5BCH%3A5%5D%3D%5BCH%3A4%5D%5BCH%3A3%5D%3D1&w=100&h=80)
[C:15]=1[S:14][CH2:7][C:8]1[CH:9]=[CH:10][CH:11]=[CH:12][CH:13]=1)=[O:22])[CH:26]=[CH2:25]](/api/mol/svg?smiles=%5BCH2%3A27%5D(%5BO%3A24%5D%5BNH%3A23%5D%5BC%3A21%5D(%5BC%3A16%5D1%5BCH%3A17%5D%3D%5BN%3A18%5D%5BN%3A19%5D(%5BCH3%3A20%5D)%5BC%3A15%5D%3D1%5BS%3A14%5D%5BCH2%3A7%5D%5BC%3A8%5D1%5BCH%3A9%5D%3D%5BCH%3A10%5D%5BCH%3A11%5D%3D%5BCH%3A12%5D%5BCH%3A13%5D%3D1)%3D%5BO%3A22%5D)%5BCH%3A26%5D%3D%5BCH2%3A25%5D&w=100&h=80)
![[CH3:25][C:24]1[CH:26]=[CH:27][C:21]([S:18]([O:17][CH:10]([CH2:11][CH2:12][S:13](=[O:15])(=[O:14])[NH2:16])[CH2:9][O:8][CH2:1][C:2]2[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=2)(=[O:20])=[O:19])=[CH:22][CH:23]=1](/api/mol/svg?smiles=%5BCH3%3A25%5D%5BC%3A24%5D1%5BCH%3A26%5D%3D%5BCH%3A27%5D%5BC%3A21%5D(%5BS%3A18%5D(%5BO%3A17%5D%5BCH%3A10%5D(%5BCH2%3A11%5D%5BCH2%3A12%5D%5BS%3A13%5D(%3D%5BO%3A15%5D)(%3D%5BO%3A14%5D)%5BNH2%3A16%5D)%5BCH2%3A9%5D%5BO%3A8%5D%5BCH2%3A1%5D%5BC%3A2%5D2%5BCH%3A3%5D%3D%5BCH%3A4%5D%5BCH%3A5%5D%3D%5BCH%3A6%5D%5BCH%3A7%5D%3D2)(%3D%5BO%3A20%5D)%3D%5BO%3A19%5D)%3D%5BCH%3A22%5D%5BCH%3A23%5D%3D1&w=100&h=80)
![[OH:8][CH2:9][CH:10]1[CH2:14][CH2:13][S:12](=[O:16])(=[O:15])[NH:11]1](/api/mol/svg?smiles=%5BOH%3A8%5D%5BCH2%3A9%5D%5BCH%3A10%5D1%5BCH2%3A14%5D%5BCH2%3A13%5D%5BS%3A12%5D(%3D%5BO%3A16%5D)(%3D%5BO%3A15%5D)%5BNH%3A11%5D1&w=100&h=80)
=[O:49])=[CH:45][CH:44]=3)[CH2:39][CH2:38][S:37]2(=[O:53])=[O:52])=[CH:34][CH:35]=1)(=[O:23])[CH2:25][CH2:26][CH2:27][CH2:28][CH3:29]](/api/mol/svg?smiles=%5BC%3A24%5D(%5BC%3A30%5D1%5BCH%3A31%5D%3D%5BCH%3A32%5D%5BC%3A33%5D(%5BN%3A36%5D2%5BCH%3A40%5D(%5BO%3A41%5D%5BCH2%3A42%5D%5BC%3A43%5D3%5BS%3A47%5D%5BC%3A46%5D(%5BC%3A48%5D(%5BO%3A50%5D%5BCH3%3A51%5D)%3D%5BO%3A49%5D)%3D%5BCH%3A45%5D%5BCH%3A44%5D%3D3)%5BCH2%3A39%5D%5BCH2%3A38%5D%5BS%3A37%5D2(%3D%5BO%3A53%5D)%3D%5BO%3A52%5D)%3D%5BCH%3A34%5D%5BCH%3A35%5D%3D1)(%3D%5BO%3A23%5D)%5BCH2%3A25%5D%5BCH2%3A26%5D%5BCH2%3A27%5D%5BCH2%3A28%5D%5BCH3%3A29%5D&w=100&h=80)
![[CH3:14][O:15][CH:16]1[CH2:21][CH2:20][N:19]([C:7]([Cl:10])=[O:6])[CH2:18][CH2:17]1](/api/mol/svg?smiles=%5BCH3%3A14%5D%5BO%3A15%5D%5BCH%3A16%5D1%5BCH2%3A21%5D%5BCH2%3A20%5D%5BN%3A19%5D(%5BC%3A7%5D(%5BCl%3A10%5D)%3D%5BO%3A6%5D)%5BCH2%3A18%5D%5BCH2%3A17%5D1&w=100&h=80)
![[ClH:32]](/api/mol/svg?smiles=%5BClH%3A32%5D&w=100&h=80)
![[NH:32]1[CH2:31][CH2:30][N:29]=[C:28]1[N:22]1[CH2:23][CH2:24][N:19]([C:14]2[CH:15]=[CH:16][CH:17]=[C:18]3[C:13]=2[CH:12]=[CH:11][N:10]3[S:7]([C:1]2[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=2)(=[O:9])=[O:8])[CH2:20][CH2:21]1](/api/mol/svg?smiles=%5BNH%3A32%5D1%5BCH2%3A31%5D%5BCH2%3A30%5D%5BN%3A29%5D%3D%5BC%3A28%5D1%5BN%3A22%5D1%5BCH2%3A23%5D%5BCH2%3A24%5D%5BN%3A19%5D(%5BC%3A14%5D2%5BCH%3A15%5D%3D%5BCH%3A16%5D%5BCH%3A17%5D%3D%5BC%3A18%5D3%5BC%3A13%5D%3D2%5BCH%3A12%5D%3D%5BCH%3A11%5D%5BN%3A10%5D3%5BS%3A7%5D(%5BC%3A1%5D2%5BCH%3A2%5D%3D%5BCH%3A3%5D%5BCH%3A4%5D%3D%5BCH%3A5%5D%5BCH%3A6%5D%3D2)(%3D%5BO%3A9%5D)%3D%5BO%3A8%5D)%5BCH2%3A20%5D%5BCH2%3A21%5D1&w=100&h=80)
Dataset #45
Reaction #312589
DOI: 10.6084/m9.figshare.5104873.v1
Reaction #312590
Yield 70.0%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #312591
DOI: 10.6084/m9.figshare.5104873.v1
Reaction #312592
Yield 66.3%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #312593
Yield 92.3%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #312594
Yield 97.3%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #312595
DOI: 10.6084/m9.figshare.5104873.v1
Reaction #312596
Yield 160.4%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #312597
DOI: 10.6084/m9.figshare.5104873.v1
Reaction #312598
Yield 101.5%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #312599
Yield 88.1%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #312600
Yield 72.2%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #312601
Yield 61.1%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #312602
Yield 82.4%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #312603
Yield 62.9%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #312604
Yield 67.0%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #312605
Yield 101.2%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #312606
DOI: 10.6084/m9.figshare.5104873.v1
Reaction #312607
Yield 99.0%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #312608
DOI: 10.6084/m9.figshare.5104873.v1