HRID104034

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID10988496

4-Acetamido-5-chloro-2-methoxybenzoic acid

C10H10ClNO4

HCID11379992

4-acetylamino-5-chloro-2-methoxybenzoyl chloride

C10H9Cl2NO3

HCID13529917

2-Methyl-1,2,3,4-tetrahydroisoquinolin-8-amine

C10H14N2

PRODUCTS

生成物

结构：COc1cc(NC(C)=O)c(Cl)cc1C(=O)Nc1cccc2c1CN(C)CC2

HCID18687410

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7bd614267c2f4c3ab969272e729dcf47
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

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