HRID304444

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

4 次

HCID313

Hydrochloric Acid

ClH

HCID7095

Biphenyl

C12H10

HCID7416

Nitrobenzene

C6H5NO2

HCID94251

2-Methyloctanoic acid

C9H18O2

2 次

HCID104727

Aluminum Cation

Al+3

PRODUCTS

生成物

HCID94251

2-Methyloctanoic acid

C9H18O2

HCID21649526

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0f85c79fbc0346d99d35ead0bd8a2acf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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