HRID138817

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7369

Benzenesulfonyl chloride

C6H5ClO2S

结构：COc1ccc(NC(=O)c2ccc(N)cc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1

HCID10811899

4-Amino-2-[[4-(1,1-dimethylethyl)benzoyl]amino]-N-(4-methoxyphenyl)benzamide

C25H27N3O3

PRODUCTS

生成物

结构：COc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1

HCID10816647

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4c28eafa2d3849abbd0055856826e58f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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