← Browse datasets![[NH2:1][C:2]1[C:10]2[N:9]=[C:8]([C:11]3[O:15][C:14]([P:16]([O:21][CH2:22][CH3:23])([O:18][CH2:19][CH3:20])=[O:17])=[CH:13][CH:12]=3)[N:7]([CH2:24][CH:25]([CH3:27])[CH3:26])[C:6]=2[C:5]([CH2:28][CH2:29][CH2:30][CH2:31][Br:54])=[CH:4][C:3]=1[F:33]](/api/mol/svg?smiles=%5BNH2%3A1%5D%5BC%3A2%5D1%5BC%3A10%5D2%5BN%3A9%5D%3D%5BC%3A8%5D(%5BC%3A11%5D3%5BO%3A15%5D%5BC%3A14%5D(%5BP%3A16%5D(%5BO%3A21%5D%5BCH2%3A22%5D%5BCH3%3A23%5D)(%5BO%3A18%5D%5BCH2%3A19%5D%5BCH3%3A20%5D)%3D%5BO%3A17%5D)%3D%5BCH%3A13%5D%5BCH%3A12%5D%3D3)%5BN%3A7%5D(%5BCH2%3A24%5D%5BCH%3A25%5D(%5BCH3%3A27%5D)%5BCH3%3A26%5D)%5BC%3A6%5D%3D2%5BC%3A5%5D(%5BCH2%3A28%5D%5BCH2%3A29%5D%5BCH2%3A30%5D%5BCH2%3A31%5D%5BBr%3A54%5D)%3D%5BCH%3A4%5D%5BC%3A3%5D%3D1%5BF%3A33%5D&w=100&h=80)
![[CH3:5][N:6]([CH3:15])[C:7]1[CH:14]=[CH:13][CH:12]=[CH:11][C:8]=1[CH2:9][Al:3]([CH3:4])[CH3:2]](/api/mol/svg?smiles=%5BCH3%3A5%5D%5BN%3A6%5D(%5BCH3%3A15%5D)%5BC%3A7%5D1%5BCH%3A14%5D%3D%5BCH%3A13%5D%5BCH%3A12%5D%3D%5BCH%3A11%5D%5BC%3A8%5D%3D1%5BCH2%3A9%5D%5BAl%3A3%5D(%5BCH3%3A4%5D)%5BCH3%3A2%5D&w=100&h=80)
![[CH3:7][N:8]([CH3:17])[C:9]1[CH:16]=[CH:15][CH:14]=[CH:13][C:10]=1[CH2:11][Al:4]([CH2:5][CH3:6])[CH2:2][CH3:3]](/api/mol/svg?smiles=%5BCH3%3A7%5D%5BN%3A8%5D(%5BCH3%3A17%5D)%5BC%3A9%5D1%5BCH%3A16%5D%3D%5BCH%3A15%5D%5BCH%3A14%5D%3D%5BCH%3A13%5D%5BC%3A10%5D%3D1%5BCH2%3A11%5D%5BAl%3A4%5D(%5BCH2%3A5%5D%5BCH3%3A6%5D)%5BCH2%3A2%5D%5BCH3%3A3%5D&w=100&h=80)
![[CH3:11][N:12]([CH3:24])[C:13]1[CH:14]=[CH:15][CH:16]=[C:17]2[C:22]=1[C:21]([Al:6]([CH2:7][CH:8]([CH3:10])[CH3:9])[CH2:2][CH:3]([CH3:5])[CH3:4])=[CH:20][CH:19]=[CH:18]2](/api/mol/svg?smiles=%5BCH3%3A11%5D%5BN%3A12%5D(%5BCH3%3A24%5D)%5BC%3A13%5D1%5BCH%3A14%5D%3D%5BCH%3A15%5D%5BCH%3A16%5D%3D%5BC%3A17%5D2%5BC%3A22%5D%3D1%5BC%3A21%5D(%5BAl%3A6%5D(%5BCH2%3A7%5D%5BCH%3A8%5D(%5BCH3%3A10%5D)%5BCH3%3A9%5D)%5BCH2%3A2%5D%5BCH%3A3%5D(%5BCH3%3A5%5D)%5BCH3%3A4%5D)%3D%5BCH%3A20%5D%5BCH%3A19%5D%3D%5BCH%3A18%5D2&w=100&h=80)
([C:32]1[CH:37]=[CH:36][CH:35]=[CH:34][CH:33]=1)([C:45]1[CH:46]=[CH:47][CH:48]=[CH:49][CH:50]=1)[C:39]1[CH:40]=[CH:41][CH:42]=[CH:43][CH:44]=1](/api/mol/svg?smiles=%5BC%3A38%5D(%5BS%3A1%5D%5BCH2%3A2%5D%5BCH2%3A3%5D%5BCH2%3A4%5D%5BCH2%3A5%5D%5BCH2%3A6%5D%5BCH2%3A7%5D%5BCH2%3A8%5D%5BCH2%3A9%5D%5BCH2%3A10%5D%5BCH2%3A11%5D%5BCH2%3A12%5D%5BO%3A13%5D%5BCH2%3A14%5D%5BCH2%3A15%5D%5BO%3A16%5D%5BCH2%3A17%5D%5BCH2%3A18%5D%5BO%3A19%5D%5BCH2%3A20%5D%5BCH2%3A21%5D%5BO%3A22%5D%5BCH2%3A23%5D%5BCH2%3A24%5D%5BO%3A25%5D%5BCH2%3A26%5D%5BCH2%3A27%5D%5BO%3A28%5D%5BCH2%3A29%5D%5BCH2%3A30%5D%5BOH%3A31%5D)(%5BC%3A32%5D1%5BCH%3A37%5D%3D%5BCH%3A36%5D%5BCH%3A35%5D%3D%5BCH%3A34%5D%5BCH%3A33%5D%3D1)(%5BC%3A45%5D1%5BCH%3A46%5D%3D%5BCH%3A47%5D%5BCH%3A48%5D%3D%5BCH%3A49%5D%5BCH%3A50%5D%3D1)%5BC%3A39%5D1%5BCH%3A40%5D%3D%5BCH%3A41%5D%5BCH%3A42%5D%3D%5BCH%3A43%5D%5BCH%3A44%5D%3D1&w=100&h=80)
![[N:28]1[CH:33]=[CH:32][CH:31]=[CH:30][C:29]=1[S:34][S:35][CH2:36][CH2:37][NH:38][C:10]([C:5]1[CH-:6][CH:7]=[CH:8][CH:9]=1)=[O:12]](/api/mol/svg?smiles=%5BN%3A28%5D1%5BCH%3A33%5D%3D%5BCH%3A32%5D%5BCH%3A31%5D%3D%5BCH%3A30%5D%5BC%3A29%5D%3D1%5BS%3A34%5D%5BS%3A35%5D%5BCH2%3A36%5D%5BCH2%3A37%5D%5BNH%3A38%5D%5BC%3A10%5D(%5BC%3A5%5D1%5BCH-%3A6%5D%5BCH%3A7%5D%3D%5BCH%3A8%5D%5BCH%3A9%5D%3D1)%3D%5BO%3A12%5D&w=100&h=80)
![[SH:8][CH2:9][CH2:10][NH:11][C:12]([C:14]1[CH-:18][CH:17]=[CH:16][CH:15]=1)=[O:13]](/api/mol/svg?smiles=%5BSH%3A8%5D%5BCH2%3A9%5D%5BCH2%3A10%5D%5BNH%3A11%5D%5BC%3A12%5D(%5BC%3A14%5D1%5BCH-%3A18%5D%5BCH%3A17%5D%3D%5BCH%3A16%5D%5BCH%3A15%5D%3D1)%3D%5BO%3A13%5D&w=100&h=80)
[CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH3:16]](/api/mol/svg?smiles=%5BCH2%3A7%5D(%5BS%3A18%5D%5BCH2%3A19%5D%5BCH2%3A1%5D%5BOH%3A4%5D)%5BCH2%3A8%5D%5BCH2%3A9%5D%5BCH2%3A10%5D%5BCH2%3A11%5D%5BCH2%3A12%5D%5BCH2%3A13%5D%5BCH2%3A14%5D%5BCH2%3A15%5D%5BCH3%3A16%5D&w=100&h=80)
![[NH2:22][CH2:21][CH2:20][NH:23][C:3]1[CH:4]=[C:5]2[C:10](=[CH:11][C:2]=1[Cl:1])[N:9]([CH:12]1[CH2:14][CH2:13]1)[CH:8]=[C:7]([C:15]([OH:17])=[O:16])[C:6]2=[O:18]](/api/mol/svg?smiles=%5BNH2%3A22%5D%5BCH2%3A21%5D%5BCH2%3A20%5D%5BNH%3A23%5D%5BC%3A3%5D1%5BCH%3A4%5D%3D%5BC%3A5%5D2%5BC%3A10%5D(%3D%5BCH%3A11%5D%5BC%3A2%5D%3D1%5BCl%3A1%5D)%5BN%3A9%5D(%5BCH%3A12%5D1%5BCH2%3A14%5D%5BCH2%3A13%5D1)%5BCH%3A8%5D%3D%5BC%3A7%5D(%5BC%3A15%5D(%5BOH%3A17%5D)%3D%5BO%3A16%5D)%5BC%3A6%5D2%3D%5BO%3A18%5D&w=100&h=80)
![[CH:26]1([N:23]2[C:24]3[C:19](=[CH:18][C:17]([F:33])=[C:16]([O:7][CH2:6][CH2:5][OH:8])[CH:25]=3)[C:20](=[O:32])[C:21]([C:29]([OH:31])=[O:30])=[CH:22]2)[CH2:27][CH2:28]1](/api/mol/svg?smiles=%5BCH%3A26%5D1(%5BN%3A23%5D2%5BC%3A24%5D3%5BC%3A19%5D(%3D%5BCH%3A18%5D%5BC%3A17%5D(%5BF%3A33%5D)%3D%5BC%3A16%5D(%5BO%3A7%5D%5BCH2%3A6%5D%5BCH2%3A5%5D%5BOH%3A8%5D)%5BCH%3A25%5D%3D3)%5BC%3A20%5D(%3D%5BO%3A32%5D)%5BC%3A21%5D(%5BC%3A29%5D(%5BOH%3A31%5D)%3D%5BO%3A30%5D)%3D%5BCH%3A22%5D2)%5BCH2%3A27%5D%5BCH2%3A28%5D1&w=100&h=80)
![[CH:16]1([N:13]2[C:14]3[C:9](=[CH:8][C:7]([F:23])=[C:6]([NH:4][CH2:3][CH2:1][OH:2])[CH:15]=3)[C:10](=[O:22])[C:11]([C:19]([OH:21])=[O:20])=[CH:12]2)[CH2:17][CH2:18]1](/api/mol/svg?smiles=%5BCH%3A16%5D1(%5BN%3A13%5D2%5BC%3A14%5D3%5BC%3A9%5D(%3D%5BCH%3A8%5D%5BC%3A7%5D(%5BF%3A23%5D)%3D%5BC%3A6%5D(%5BNH%3A4%5D%5BCH2%3A3%5D%5BCH2%3A1%5D%5BOH%3A2%5D)%5BCH%3A15%5D%3D3)%5BC%3A10%5D(%3D%5BO%3A22%5D)%5BC%3A11%5D(%5BC%3A19%5D(%5BOH%3A21%5D)%3D%5BO%3A20%5D)%3D%5BCH%3A12%5D2)%5BCH2%3A17%5D%5BCH2%3A18%5D1&w=100&h=80)
![[CH3:1][C:2]1([CH3:22])[O:10][C@@H:9]2[C@@H:4]([CH2:5][O:6][C@@:7]3([CH2:16][O:17][S:18]([NH-:21])(=[O:20])=[O:19])[O:13][C:12]([CH3:14])([CH3:15])[O:11][C@H:8]32)[O:3]1](/api/mol/svg?smiles=%5BCH3%3A1%5D%5BC%3A2%5D1(%5BCH3%3A22%5D)%5BO%3A10%5D%5BC%40%40H%3A9%5D2%5BC%40%40H%3A4%5D(%5BCH2%3A5%5D%5BO%3A6%5D%5BC%40%40%3A7%5D3(%5BCH2%3A16%5D%5BO%3A17%5D%5BS%3A18%5D(%5BNH-%3A21%5D)(%3D%5BO%3A20%5D)%3D%5BO%3A19%5D)%5BO%3A13%5D%5BC%3A12%5D(%5BCH3%3A14%5D)(%5BCH3%3A15%5D)%5BO%3A11%5D%5BC%40H%3A8%5D32)%5BO%3A3%5D1&w=100&h=80)
![[CH3:1][C:2]1([CH3:22])[O:10][C@@H:9]2[C@@H:4]([CH2:5][O:6][C@@:7]3([CH2:16][O:17][S:18]([NH-:21])(=[O:20])=[O:19])[O:13][C:12]([CH3:14])([CH3:15])[O:11][C@H:8]32)[O:3]1](/api/mol/svg?smiles=%5BCH3%3A1%5D%5BC%3A2%5D1(%5BCH3%3A22%5D)%5BO%3A10%5D%5BC%40%40H%3A9%5D2%5BC%40%40H%3A4%5D(%5BCH2%3A5%5D%5BO%3A6%5D%5BC%40%40%3A7%5D3(%5BCH2%3A16%5D%5BO%3A17%5D%5BS%3A18%5D(%5BNH-%3A21%5D)(%3D%5BO%3A20%5D)%3D%5BO%3A19%5D)%5BO%3A13%5D%5BC%3A12%5D(%5BCH3%3A14%5D)(%5BCH3%3A15%5D)%5BO%3A11%5D%5BC%40H%3A8%5D32)%5BO%3A3%5D1&w=100&h=80)
![[CH3:1][C:2]1([CH3:22])[O:10][C@@H:9]2[C@@H:4]([CH2:5][O:6][C@@:7]3([CH2:16][O:17][S:18]([NH-:21])(=[O:20])=[O:19])[O:13][C:12]([CH3:14])([CH3:15])[O:11][C@H:8]32)[O:3]1](/api/mol/svg?smiles=%5BCH3%3A1%5D%5BC%3A2%5D1(%5BCH3%3A22%5D)%5BO%3A10%5D%5BC%40%40H%3A9%5D2%5BC%40%40H%3A4%5D(%5BCH2%3A5%5D%5BO%3A6%5D%5BC%40%40%3A7%5D3(%5BCH2%3A16%5D%5BO%3A17%5D%5BS%3A18%5D(%5BNH-%3A21%5D)(%3D%5BO%3A20%5D)%3D%5BO%3A19%5D)%5BO%3A13%5D%5BC%3A12%5D(%5BCH3%3A14%5D)(%5BCH3%3A15%5D)%5BO%3A11%5D%5BC%40H%3A8%5D32)%5BO%3A3%5D1&w=100&h=80)
![[CH3:5][O:4][N:3]([CH3:2])[C:16]([CH:13]1[CH2:15][CH2:14]1)=[O:17]](/api/mol/svg?smiles=%5BCH3%3A5%5D%5BO%3A4%5D%5BN%3A3%5D(%5BCH3%3A2%5D)%5BC%3A16%5D(%5BCH%3A13%5D1%5BCH2%3A15%5D%5BCH2%3A14%5D1)%3D%5BO%3A17%5D&w=100&h=80)
![[BrH:5]](/api/mol/svg?smiles=%5BBrH%3A5%5D&w=100&h=80)
![[OH:13][NH:12][C:9](=[NH:10])[CH2:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH3:8]](/api/mol/svg?smiles=%5BOH%3A13%5D%5BNH%3A12%5D%5BC%3A9%5D(%3D%5BNH%3A10%5D)%5BCH2%3A1%5D%5BCH2%3A2%5D%5BCH2%3A3%5D%5BCH2%3A4%5D%5BCH2%3A5%5D%5BCH2%3A6%5D%5BCH2%3A7%5D%5BCH3%3A8%5D&w=100&h=80)
[C:14]#[CH:13]](/api/mol/svg?smiles=%5BCH2%3A15%5D(%5BN%3A1%5D1%5BCH2%3A6%5D%5BCH2%3A5%5D%5BO%3A4%5D%5BCH2%3A3%5D%5BCH2%3A2%5D1)%5BC%3A14%5D%23%5BCH%3A13%5D&w=100&h=80)
![[N:4]1([CH2:1][C:2]#[C:3][C:18](=[O:20])[CH3:19])[CH2:9][CH2:8][O:7][CH2:6][CH2:5]1](/api/mol/svg?smiles=%5BN%3A4%5D1(%5BCH2%3A1%5D%5BC%3A2%5D%23%5BC%3A3%5D%5BC%3A18%5D(%3D%5BO%3A20%5D)%5BCH3%3A19%5D)%5BCH2%3A9%5D%5BCH2%3A8%5D%5BO%3A7%5D%5BCH2%3A6%5D%5BCH2%3A5%5D1&w=100&h=80)
[CH:9]=[C:10]([CH3:11])[N:22]=1)[CH2:15][CH2:16][CH2:17][CH2:18][CH3:19]](/api/mol/svg?smiles=%5BCH2%3A14%5D(%5BS%3A20%5D%5BC%3A21%5D1%5BN%3A23%5D%3D%5BC%3A8%5D(%5BCH2%3A7%5D%5BN%3A1%5D2%5BCH2%3A6%5D%5BCH2%3A5%5D%5BO%3A4%5D%5BCH2%3A3%5D%5BCH2%3A2%5D2)%5BCH%3A9%5D%3D%5BC%3A10%5D(%5BCH3%3A11%5D)%5BN%3A22%5D%3D1)%5BCH2%3A15%5D%5BCH2%3A16%5D%5BCH2%3A17%5D%5BCH2%3A18%5D%5BCH3%3A19%5D&w=100&h=80)
Dataset #202
Reaction #985284
DOI: 10.6084/m9.figshare.5104873.v1
Reaction #985285
Yield 58.0%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #985286
Yield 62.0%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #985287
Yield 70907.1%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #985288
Yield 49.2%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #985289
DOI: 10.6084/m9.figshare.5104873.v1
Reaction #985290
Yield 57.0%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #985291
Yield 94.0%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #985292
Yield 10.0%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #985293
DOI: 10.6084/m9.figshare.5104873.v1
Reaction #985294
DOI: 10.6084/m9.figshare.5104873.v1
Reaction #985295
Yield 2.8%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #985296
DOI: 10.6084/m9.figshare.5104873.v1
Reaction #985297
DOI: 10.6084/m9.figshare.5104873.v1
Reaction #985298
Yield 61.4%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #985299
Yield 91.2%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #985300
Yield 27.0%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #985301
Yield 70.0%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #985302
Yield 89.0%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #985303
DOI: 10.6084/m9.figshare.5104873.v1