HRID2343608

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7412

Benzoyl chloride

C7H5ClO

HCID8857

Ethyl acetate

C4H8O2

HCID24813

Phosphoric trichloride

Cl3OP

HCID53633180

2-(4-Nitrophenyl)ethene-1-sulfonamide

C8H8N2O4S

结构：O=[N+]([O-])c1ccc(C=CS(=O)(=O)N=C(Cl)c2ccccc2)cc1

HCID54565141

未命名化合物

PRODUCTS

生成物

结构：O=C(NS(=O)(=O)C=Cc1ccc([N+](=O)[O-])cc1)c1ccccc1

HCID54406439

N-(4-nitrostyrylsulfonyl)benzamide

C15H12N2O5S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-413c7c57a297454bb6243ae72f046fe4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:39]([Cl:40])(=[O:41])[c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[CH3:53][CH2:54][O:55][C:56](=[O:57])[CH3:58].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([CH:8]=[CH:9][S:10](=[O:11])(=[O:12])[N:13]=[C:14]([c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[Cl:21])[cH:22][cH:23]1.[N+:24](=[O:25])([c:26]1[cH:27][cH:28][c:29]([CH:30]=[CH:31][S:32]([NH2:33])(=[O:34])=[O:35])[cH:36][cH:37]1)[O-:38].[P:48]([Cl:49])([Cl:50])([Cl:51])=[O:52]>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([CH:8]=[CH:9][S:10](=[O:11])(=[O:12])[NH:13][C:14]([c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)=[O:25])[cH:22][cH:23]1