← Browse datasets![[CH3:8][O:7][C:1]1[CH:6]=[CH:5][C:4]([C:9](=[O:11])[CH3:10])=[CH:3][CH:2]=1](/api/mol/svg?smiles=%5BCH3%3A8%5D%5BO%3A7%5D%5BC%3A1%5D1%5BCH%3A6%5D%3D%5BCH%3A5%5D%5BC%3A4%5D(%5BC%3A9%5D(%3D%5BO%3A11%5D)%5BCH3%3A10%5D)%3D%5BCH%3A3%5D%5BCH%3A2%5D%3D1&w=100&h=80)
[CH3:2])[CH:6]=[CH:7][C:8]=1[OH:11])(=[O:24])[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH3:23]](/api/mol/svg?smiles=%5BC%3A12%5D(%5BC%3A9%5D1%5BCH%3A10%5D%3D%5BC%3A5%5D(%5BNH%3A4%5D%5BC%3A1%5D(%3D%5BO%3A3%5D)%5BCH3%3A2%5D)%5BCH%3A6%5D%3D%5BCH%3A7%5D%5BC%3A8%5D%3D1%5BOH%3A11%5D)(%3D%5BO%3A24%5D)%5BCH2%3A13%5D%5BCH2%3A14%5D%5BCH2%3A15%5D%5BCH2%3A16%5D%5BCH2%3A17%5D%5BCH2%3A18%5D%5BCH2%3A19%5D%5BCH2%3A20%5D%5BCH2%3A21%5D%5BCH2%3A22%5D%5BCH3%3A23%5D&w=100&h=80)
![[NH2:1][C@H:2]([C:9]([OH:11])=[O:10])[CH2:3][C:4]1[N:8]=[CH:7][NH:6][CH:5]=1](/api/mol/svg?smiles=%5BNH2%3A1%5D%5BC%40H%3A2%5D(%5BC%3A9%5D(%5BOH%3A11%5D)%3D%5BO%3A10%5D)%5BCH2%3A3%5D%5BC%3A4%5D1%5BN%3A8%5D%3D%5BCH%3A7%5D%5BNH%3A6%5D%5BCH%3A5%5D%3D1&w=100&h=80)
![[I-:13]](/api/mol/svg?smiles=%5BI-%3A13%5D&w=100&h=80)
![[Br-:13]](/api/mol/svg?smiles=%5BBr-%3A13%5D&w=100&h=80)
![[OH:4][CH:5]=[CH:6][C:7]1[CH:12]=[CH:11][CH:10]=[CH:9][CH:8]=1](/api/mol/svg?smiles=%5BOH%3A4%5D%5BCH%3A5%5D%3D%5BCH%3A6%5D%5BC%3A7%5D1%5BCH%3A12%5D%3D%5BCH%3A11%5D%5BCH%3A10%5D%3D%5BCH%3A9%5D%5BCH%3A8%5D%3D1&w=100&h=80)
![[Br:14][CH:2]([C:3]([O:5][CH2:6][CH3:7])=[O:4])[C:1]([O:9][C:10]([CH3:12])([CH3:11])[CH3:13])=[O:8]](/api/mol/svg?smiles=%5BBr%3A14%5D%5BCH%3A2%5D(%5BC%3A3%5D(%5BO%3A5%5D%5BCH2%3A6%5D%5BCH3%3A7%5D)%3D%5BO%3A4%5D)%5BC%3A1%5D(%5BO%3A9%5D%5BC%3A10%5D(%5BCH3%3A12%5D)(%5BCH3%3A11%5D)%5BCH3%3A13%5D)%3D%5BO%3A8%5D&w=100&h=80)
=[CH:10][C:2]=1[Cl:1])(=[O:5])[C:2]1[CH:10]=[CH:9][CH:8]=[CH:7][CH:3]=1](/api/mol/svg?smiles=%5BC%3A4%5D(%5BC%3A3%5D1%5BCH%3A7%5D%3D%5BCH%3A8%5D%5BC%3A9%5D(%5BCl%3A11%5D)%3D%5BCH%3A10%5D%5BC%3A2%5D%3D1%5BCl%3A1%5D)(%3D%5BO%3A5%5D)%5BC%3A2%5D1%5BCH%3A10%5D%3D%5BCH%3A9%5D%5BCH%3A8%5D%3D%5BCH%3A7%5D%5BCH%3A3%5D%3D1&w=100&h=80)
![[CH3:56][N:55]([CH3:57])[O:54][CH2:53][CH2:52][O:51][C@@H:39]1[C@H:38]([OH:58])[C@@H:37]([CH2:36][OH:35])[O:41][C@H:40]1[N:42]1[CH:49]=[C:48]([CH3:50])[C:46](=[O:47])[NH:45][C:43]1=[O:44]](/api/mol/svg?smiles=%5BCH3%3A56%5D%5BN%3A55%5D(%5BCH3%3A57%5D)%5BO%3A54%5D%5BCH2%3A53%5D%5BCH2%3A52%5D%5BO%3A51%5D%5BC%40%40H%3A39%5D1%5BC%40H%3A38%5D(%5BOH%3A58%5D)%5BC%40%40H%3A37%5D(%5BCH2%3A36%5D%5BOH%3A35%5D)%5BO%3A41%5D%5BC%40H%3A40%5D1%5BN%3A42%5D1%5BCH%3A49%5D%3D%5BC%3A48%5D(%5BCH3%3A50%5D)%5BC%3A46%5D(%3D%5BO%3A47%5D)%5BNH%3A45%5D%5BC%3A43%5D1%3D%5BO%3A44%5D&w=100&h=80)
![[F:3][C:4]([F:9])([F:8])[C:5]([NH:7][CH2:16][CH2:15][CH2:14][CH2:13][C:12]#[CH:11])=[O:6]](/api/mol/svg?smiles=%5BF%3A3%5D%5BC%3A4%5D(%5BF%3A9%5D)(%5BF%3A8%5D)%5BC%3A5%5D(%5BNH%3A7%5D%5BCH2%3A16%5D%5BCH2%3A15%5D%5BCH2%3A14%5D%5BCH2%3A13%5D%5BC%3A12%5D%23%5BCH%3A11%5D)%3D%5BO%3A6%5D&w=100&h=80)
[CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][C:14]#[CH:15]](/api/mol/svg?smiles=%5BCH2%3A8%5D(%5BOH%3A7%5D)%5BCH2%3A9%5D%5BCH2%3A10%5D%5BCH2%3A11%5D%5BCH2%3A12%5D%5BCH2%3A13%5D%5BC%3A14%5D%23%5BCH%3A15%5D&w=100&h=80)
=[CH:2][CH:3]=1)(=[O:9])=[O:8])[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][C:18]#[CH:19]](/api/mol/svg?smiles=%5BCH2%3A12%5D(%5BO%3A20%5D%5BS%3A7%5D(%5BC%3A4%5D1%5BCH%3A5%5D%3D%5BCH%3A6%5D%5BC%3A1%5D(%5BCH3%3A11%5D)%3D%5BCH%3A2%5D%5BCH%3A3%5D%3D1)(%3D%5BO%3A9%5D)%3D%5BO%3A8%5D)%5BCH2%3A13%5D%5BCH2%3A14%5D%5BCH2%3A15%5D%5BCH2%3A16%5D%5BCH2%3A17%5D%5BC%3A18%5D%23%5BCH%3A19%5D&w=100&h=80)
![[I:20][CH2:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][C:7]#[CH:8]](/api/mol/svg?smiles=%5BI%3A20%5D%5BCH2%3A1%5D%5BCH2%3A2%5D%5BCH2%3A3%5D%5BCH2%3A4%5D%5BCH2%3A5%5D%5BCH2%3A6%5D%5BC%3A7%5D%23%5BCH%3A8%5D&w=100&h=80)
![[F:3][C:4]([F:9])([F:8])[C:5]([NH:7][CH2:18][CH2:17][CH2:16][CH2:15][CH2:14][CH2:13][C:12]#[CH:11])=[O:6]](/api/mol/svg?smiles=%5BF%3A3%5D%5BC%3A4%5D(%5BF%3A9%5D)(%5BF%3A8%5D)%5BC%3A5%5D(%5BNH%3A7%5D%5BCH2%3A18%5D%5BCH2%3A17%5D%5BCH2%3A16%5D%5BCH2%3A15%5D%5BCH2%3A14%5D%5BCH2%3A13%5D%5BC%3A12%5D%23%5BCH%3A11%5D)%3D%5BO%3A6%5D&w=100&h=80)
[C:6]([F:12])([F:11])[F:5])[C:2]#[CH:3]](/api/mol/svg?smiles=%5BCH2%3A1%5D(%5BNH%3A4%5D%5BC%3A7%5D(%3D%5BO%3A8%5D)%5BC%3A6%5D(%5BF%3A12%5D)(%5BF%3A11%5D)%5BF%3A5%5D)%5BC%3A2%5D%23%5BCH%3A3%5D&w=100&h=80)
=[O:2])=[C:10]2[O:11][CH2:25][CH2:24][O:12][C:9]=12)([OH:15])=[O:14]](/api/mol/svg?smiles=%5BC%3A13%5D(%5BC%3A8%5D1%5BS%3A7%5D%5BC%3A6%5D(%5BC%3A1%5D(%5BOH%3A3%5D)%3D%5BO%3A2%5D)%3D%5BC%3A10%5D2%5BO%3A11%5D%5BCH2%3A25%5D%5BCH2%3A24%5D%5BO%3A12%5D%5BC%3A9%5D%3D12)(%5BOH%3A15%5D)%3D%5BO%3A14%5D&w=100&h=80)
(=[O:20])[CH2:18][CH2:17][CH2:16][CH2:15][CH2:14][CH2:13][CH2:12][CH2:11][CH2:10][CH2:9][S:1][S:2][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][C:19]([OH:21])=[O:20]](/api/mol/svg?smiles=%5BC%3A19%5D(%5BOH%3A21%5D)(%3D%5BO%3A20%5D)%5BCH2%3A18%5D%5BCH2%3A17%5D%5BCH2%3A16%5D%5BCH2%3A15%5D%5BCH2%3A14%5D%5BCH2%3A13%5D%5BCH2%3A12%5D%5BCH2%3A11%5D%5BCH2%3A10%5D%5BCH2%3A9%5D%5BS%3A1%5D%5BS%3A2%5D%5BCH2%3A9%5D%5BCH2%3A10%5D%5BCH2%3A11%5D%5BCH2%3A12%5D%5BCH2%3A13%5D%5BCH2%3A14%5D%5BCH2%3A15%5D%5BCH2%3A16%5D%5BCH2%3A17%5D%5BCH2%3A18%5D%5BC%3A19%5D(%5BOH%3A21%5D)%3D%5BO%3A20%5D&w=100&h=80)
![[Br:5][C:4]([CH2:2][CH2:3][CH2:6][CH2:7][CH2:8][CH3:9])=[CH2:14]](/api/mol/svg?smiles=%5BBr%3A5%5D%5BC%3A4%5D(%5BCH2%3A2%5D%5BCH2%3A3%5D%5BCH2%3A6%5D%5BCH2%3A7%5D%5BCH2%3A8%5D%5BCH3%3A9%5D)%3D%5BCH2%3A14%5D&w=100&h=80)
![[Br:11][C:10]1([Br:13])[CH2:3][C:2]1([Br:1])[CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH3:9]](/api/mol/svg?smiles=%5BBr%3A11%5D%5BC%3A10%5D1(%5BBr%3A13%5D)%5BCH2%3A3%5D%5BC%3A2%5D1(%5BBr%3A1%5D)%5BCH2%3A4%5D%5BCH2%3A5%5D%5BCH2%3A6%5D%5BCH2%3A7%5D%5BCH2%3A8%5D%5BCH3%3A9%5D&w=100&h=80)
[CH2:6][CH2:7][CH2:8][CH2:9][CH3:10]](/api/mol/svg?smiles=%5BCH2%3A5%5D(%5BC%3A3%5D1%5BCH2%3A4%5D%5BCH%3A2%5D%3D1)%5BCH2%3A6%5D%5BCH2%3A7%5D%5BCH2%3A8%5D%5BCH2%3A9%5D%5BCH3%3A10%5D&w=100&h=80)
Dataset #183
Reaction #927224
Yield 97.2%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #927225
Yield 12.0%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #927226
DOI: 10.6084/m9.figshare.5104873.v1
Reaction #927227
Yield 83.5%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #927228
Yield 71.2%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #927229
DOI: 10.6084/m9.figshare.5104873.v1
Reaction #927230
Yield 176.5%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #927231
Yield 156.0%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #927232
Yield 92.5%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #927233
Yield 65.4%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #927234
Yield 88.9%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #927235
Yield 85.8%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #927236
Yield 94.2%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #927237
Yield 79.5%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #927238
Yield 86.0%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #927239
DOI: 10.6084/m9.figshare.5104873.v1
Reaction #927240
DOI: 10.6084/m9.figshare.5104873.v1
Reaction #927241
DOI: 10.6084/m9.figshare.5104873.v1
Reaction #927242
Yield 51.0%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #927243
Yield 87.0%DOI: 10.6084/m9.figshare.5104873.v1
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