HRID1224551

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8857

Ethyl Acetate

C4H8O2

HCID9852319

4-{5-[(3,5-Bis-trifluoromethyl-benzyl)-methyl-carbamoyl]-4-o-tolyl-pyridin-2-yl}-piperazine-1-carboxylic acid tert-butyl ester

C32H34F6N4O3

PRODUCTS

产物

HCID10280286

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-cd56253f26d5423ebc44f1c5d1e139e0
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

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