HRID1152154

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID76300

Ethyl 4-bromobutyrate

C6H11BrO2

HCID826974

3-(1-Piperidinylmethyl)phenol

C12H17NO

HCID14221804

未命名化合物

PRODUCTS

生成物

HCID14221805

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-07eb1cc716064aa2bc371c19627979f0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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