HRID1219777

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

结构：CCCCOc1c(-c2cccc3c2cc(C(C)=CC(=O)O)n3S(=O)(=O)c2ccccc2)cc(C(C)C)cc1C(C)C

HCID69219995

未命名化合物

PRODUCTS

生成物

结构：CCCCOc1c(-c2cccc3[nH]c(C(C)=CC(=O)O)cc23)cc(C(C)C)cc1C(C)C

HCID66899321

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d6e5c06b6ada4705aee51bb69165b421
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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