HRID666155

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCC(=C(c1ccccc1)c1ccc(C=CC(=O)O)cc1)c1ccccc1

HCID132994

未命名化合物

HCID519377

3-Chlorobenzenesulfonamide

C6H6ClNO2S

PRODUCTS

生成物

结构：CCC(=C(c1ccccc1)c1ccc(C=CC(=O)NS(=O)(=O)c2cccc(Cl)c2)cc1)c1ccccc1

HCID69315997

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3c315012169e4fb2a4f4ac69751e0bff
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Cl:28][c:29]1[cH:30][c:31]([S:35](=[O:36])(=[O:37])[NH2:38])[cH:32][cH:33][cH:34]1.[c:1]1([C:7](=[C:8]([CH2:9][CH3:10])[c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[c:17]2[cH:18][cH:19][c:20]([CH:23]=[CH:24][C:25](=[O:26])[OH:27])[cH:21][cH:22]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([C:7](=[C:8]([CH2:9][CH3:10])[c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[c:17]2[cH:18][cH:19][c:20]([CH:23]=[CH:24][C:25](=[O:26])[NH:38][S:35]([c:31]3[cH:30][c:29]([Cl:28])[cH:34][cH:33][cH:32]3)(=[O:36])=[O:37])[cH:21][cH:22]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1