HRID294369

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID64801

Benzenepropanoyl chloride

C9H9ClO

结构：CCOc1cc(C(C)(C)C)ccc1C1=NC(C)(c2ccc(Cl)cc2)C(C)(c2ccc(Cl)cc2)N1

HCID53628801

未命名化合物

PRODUCTS

生成物

结构：CCOc1cc(C(C)(C)C)ccc1C1=NC(C)(c2ccc(Cl)cc2)C(C)(c2ccc(Cl)cc2)N1C(=O)CCc1ccccc1

HCID73408861

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9246ed05aed64f018704c8256dd321cc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([O:32][CH2:33][CH3:34])[c:8]([C:11]2=[N:15][C:14]([CH3:16])([c:17]3[cH:18][cH:19][c:20]([Cl:23])[cH:21][cH:22]3)[C:13]([CH3:24])([c:25]3[cH:26][cH:27][c:28]([Cl:31])[cH:29][cH:30]3)[NH:12]2)[cH:9][cH:10]1.[c:35]1([CH2:41][CH2:42][C:43](=[O:44])[Cl:45])[cH:36][cH:37][cH:38][cH:39][cH:40]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([O:32][CH2:33][CH3:34])[c:8]([C:11]2=[N:12][C:13]([CH3:24])([c:25]3[cH:26][cH:27][c:28]([Cl:31])[cH:29][cH:30]3)[C:14]([CH3:16])([c:17]3[cH:18][cH:19][c:20]([Cl:23])[cH:21][cH:22]3)[N:15]2[C:43]([CH2:42][CH2:41][c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)=[O:44])[cH:9][cH:10]1