HRID2129920

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID74065

Benzenesulfonamide, p-acetyl- (6CI,7CI,8CI)

C8H9NO3S

反应SMILES：COc1cc(OC)c(-c2cc3ccccc3n2C(=O)OC(C)(C)C)cc1C=O

HCID16116307

未命名化合物

PRODUCTS

产物

反应SMILES：COc1cc(OC)c(-c2cc3ccccc3n2C(=O)OC(C)(C)C)cc1C=CC(=O)c1ccc(S(N)(=O)=O)cc1

HCID69645804

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-95387389b0844c668a4faed2c711e6e0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应SMILES

[C:14]([CH3:15])([CH3:16])([CH3:17])[O:18][C:19](=[O:20])[n:21]1[c:22](-[c:30]2[c:31]([O:40][CH3:41])[cH:32][c:33]([O:38][CH3:39])[c:34]([CH:36]=[O:37])[cH:35]2)[cH:23][c:24]2[cH:25][cH:26][cH:27][cH:28][c:29]12.[C:1]([CH3:2])(=[O:3])[c:4]1[cH:5][cH:6][c:7]([S:10](=[O:11])(=[O:12])[NH2:13])[cH:8][cH:9]1>>[C:1]([CH:2]=[CH:36][c:34]1[c:33]([O:38][CH3:39])[cH:32][c:31]([O:40][CH3:41])[c:30](-[c:22]2[n:21]([C:19]([O:18][C:14]([CH3:15])([CH3:16])[CH3:17])=[O:20])[c:29]3[c:24]([cH:23]2)[cH:25][cH:26][cH:27][cH:28]3)[cH:35]1)(=[O:3])[c:4]1[cH:5][cH:6][c:7]([S:10](=[O:11])(=[O:12])[NH2:13])[cH:8][cH:9]1