HRID210321

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID313

Hydrochloric Acid

ClH

HCID68056

Dichloramine-T

C7H7Cl2NO2S

HCID76939

Chlorimide

HCl2N

HCID2802556

4-(4-octoxyphenyl)benzoic acid

C21H26O3

PRODUCTS

生成物

结构：CCCCCCCCOc1ccc(-c2ccc(C(=O)O)cc2)cc1Cl

HCID14794181

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-32ae3eabd30f439fb07875a0043b9bfa
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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