HRID1546430

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID1001

Phenethylamine

C8H11N

HCID6344

Dichloromethane

CH2Cl2

HCID6593

Dichloroacetyl chloride

C2HCl3O

HCID7412

Benzoyl chloride

C7H5ClO

HCID8405

Isoquinoline

C9H7N

HCID100137

未命名化合物

PRODUCTS

生成物

HCID20133033

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-110c000cc0ed4bdca2376c02ea28862a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:10]([Cl:11])(=[O:12])[c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1.[CH2:1]([NH2:2])[CH2:3][c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1.[CH2:54]([Cl:55])[Cl:56].[Cl:47][CH:48]([Cl:49])[C:50]([Cl:51])=[O:52].[Na+:46].[OH-:45].[OH2:53].[c:19]1([CH:25]2[NH:26][CH2:27][CH2:28][c:29]3[cH:30][cH:31][cH:32][cH:33][c:34]32)[cH:20][cH:21][cH:22][cH:23][cH:24]1.[cH:35]1[cH:36][c:37]2[c:38]([cH:39][n:40][cH:41][cH:42]2)[cH:43][cH:44]1>>[c:19]1([CH:25]2[N:26]([C:50]([CH:48]([Cl:47])[Cl:49])=[O:52])[CH2:27][CH2:28][c:29]3[cH:30][cH:31][cH:32][cH:33][c:34]32)[cH:20][cH:21][cH:22][cH:23][cH:24]1