HRID1231930

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID7121

3,4-Dimethoxybenzoic acid

C9H10O4

HCID24386

Thionyl chloride

Cl2OS

HCID77070

Veratroyl chloride

C9H9ClO3

HCID88349

p-(2-(Dimethylamino)ethoxy)benzylamine

C11H18N2O

PRODUCTS

生成物

结构：COc1ccc(C(=O)NCc2ccc(OCCN(C)C)cc2)cc1OC

HCID3792

Itopride

C20H26N2O4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-58a7d23b303e462bbf343c460728481c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:15][O:16][c:17]1[cH:18][c:19]([C:20](=[O:21])[Cl:22])[cH:23][cH:24][c:25]1[O:26][CH3:27].[CH3:1][N:2]([CH2:3][CH2:4][O:5][c:6]1[cH:7][cH:8][c:9]([CH2:10][NH2:11])[cH:12][cH:13]1)[CH3:14].[CH3:28][O:29][c:30]1[c:31]([O:32][CH3:33])[cH:34][c:35]([C:36](=[O:37])[OH:38])[cH:39][cH:40]1.[CH3:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[ClH:45].[OH2:53].[S:41]([Cl:42])([Cl:43])=[O:44]>>[CH3:1][N:2]([CH2:3][CH2:4][O:5][c:6]1[cH:7][cH:8][c:9]([CH2:10][NH:11][C:20]([c:19]2[cH:18][c:17]([O:16][CH3:15])[c:25]([O:26][CH3:27])[cH:24][cH:23]2)=[O:21])[cH:12][cH:13]1)[CH3:14]