HRID2138252

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

结构：CCC(CC)(c1ccc(CCC(O)C(C)(C)C)c(C)c1)c1ccc(-c2cccc(C(O)C(=O)OC)c2)c(C)c1

HCID57709026

未命名化合物

PRODUCTS

生成物

结构：CCC(CC)(c1ccc(CCC(O)C(C)(C)C)c(C)c1)c1ccc(-c2cccc(C(O)C(=O)O)c2)c(C)c1

HCID57709108

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-795df89b28fc40e2af64ded79c5e086f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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