HRID115841

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID7679

Benzeneacetyl chloride

C8H7ClO

HCID74740

Benzenemethanesulfonyl chloride

C7H7ClO2S

结构：COc1cc(-c2cn(C3CCCC3)c3ncnc(N)c23)ccc1N

HCID53925232

未命名化合物

PRODUCTS

生成物

结构：COc1cc(-c2cn(C3CCCC3)c3ncnc(N)c23)ccc1NC(=O)Cc1ccccc1

HCID58089297

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-26456df9d19c4351a91e1170156ceb37
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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