HRID133983

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID102459

3,7,11,15-Tetramethylhexadecan-1-ol

C20H42O

HCID166653

Hydride

H-

HCID234853

5-chlorofuran-2-carboxylic acid

C5H3ClO3

PRODUCTS

生成物

结构：CC(C)CCCC(C)CCCC(C)CCCC(C)CCOc1ccc(C(=O)O)o1

HCID21450431

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5488186bccef4846b81aeb288e458c2d
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

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