HRID948304

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID961

Hydroxide

HO-

HCID21109

Trimetazidine

C14H22N2O3

HCID498716

未命名化合物

HCID15288233

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CN2CCN(Cc3nc(-c4ccc(C(F)(F)F)cc4)n(C)c3C)CC2)c(OC)c1OC

HCID15288234

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4c4d8076a0af4f98994ffa42b3a1b772
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:39]([BH3-:40])#[N:41].[CH3:1][n:2]1[c:3](-[c:10]2[cH:11][cH:12][c:13]([C:16]([F:17])([F:18])[F:19])[cH:14][cH:15]2)[n:4][c:5]([CH:8]=[O:9])[c:6]1[CH3:7].[CH3:20][O:21][c:22]1[c:23]([CH2:32][N:33]2[CH2:34][CH2:35][NH:36][CH2:37][CH2:38]2)[cH:24][cH:25][c:26]([O:30][CH3:31])[c:27]1[O:28][CH3:29].[CH3:45][CH2:46][OH:47].[Na+:42].[Na+:44].[OH-:43]>>[CH3:1][n:2]1[c:3](-[c:10]2[cH:11][cH:12][c:13]([C:16]([F:17])([F:18])[F:19])[cH:14][cH:15]2)[n:4][c:5]([CH2:8][N:36]2[CH2:35][CH2:34][N:33]([CH2:32][c:23]3[c:22]([O:21][CH3:20])[c:27]([O:28][CH3:29])[c:26]([O:30][CH3:31])[cH:25][cH:24]3)[CH2:38][CH2:37]2)[c:6]1[CH3:7]