HRID1140185

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

结构：CCOC(=O)c1ccc2cc(-c3ccc4c(c3)C(c3ccc(C)cc3)=CCC4(C)C)ccc2c1

HCID15870725

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C2=CCC(C)(C)c3ccc(-c4ccc5cc(C(=O)O)ccc5c4)cc32)cc1

HCID15870726

5',6'-Dihydro-5',5'-dimethyl-8'-(4-methylphenyl)-[2,2'-binaphthalene]6-carboxylic acid

C30H26O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f452ec63802d457bba4cd26b692b140a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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