HRID158468

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID7809

p-Xylene

C8H10

HCID8927

Octadec-9-en-1-ol

C18H36O

HCID166653

Hydride

H-

HCID13333560

5-Bromofuran-3-carboxylic acid

C5H3BrO3

PRODUCTS

生成物

HCID54339502

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c5425721485a4acbbffb1d0161103c1a
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:1][c:2]1[cH:3][c:4]([C:7](=[O:8])[OH:9])[cH:5][o:6]1.[CH2:10]([CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH:18]=[CH:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH3:27])[OH:28].[CH3:31][c:32]1[cH:33][cH:34][c:35]([CH3:36])[cH:37][cH:38]1.[CH3:40][C:41](=[O:42])[OH:43].[H-:29].[Na+:30].[OH2:39]>>[c:2]1([O:28][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH:18]=[CH:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH3:27])[cH:3][c:4]([C:7](=[O:8])[OH:9])[cH:5][o:6]1