HRID694702

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID21109

Trimetazidine

C14H22N2O3

HCID532460

4-Methoxyphenyl chloroacetate

C9H9ClO3

PRODUCTS

生成物

结构：COc1ccc(OC(=O)CN2CCN(Cc3ccc(OC)c(OC)c3OC)CC2)cc1

HCID3087213

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9da031b381b54b73ae7fff67e5167edc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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