HRID140116

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8056

1,4-Dibromobutane

C4H8Br2

HCID16028

Tetrabutylammonium

C16H36N+

HCID61778

Bisulfate anion

HO4S-

HCID10422229

Benzoic acid, 4-(4-hydroxybutyl)-, 1,1-dimethylethyl ester

C15H22O3

PRODUCTS

生成物

HCID58024774

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8b2fb0016cf8464ab9fde1754fe115db
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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