HRID124183

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID6212

Chloroform

CHCl3

HCID16865

4-Acetoxy benzoic acid

C9H8O4

HCID17569

Dodecylparaben

C19H30O3

PRODUCTS

生成物

结构：CCCCCCCCCCCCOC(=O)c1ccc(OC(=O)c2ccc(OC(C)=O)cc2)cc1

HCID23052170

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8300697b9f584778825861ee9bbfa137
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:24]([CH3:25])(=[O:26])[O:27][c:28]1[cH:29][cH:30][c:31]([C:32](=[O:33])[OH:34])[cH:35][cH:36]1.[CH:44]([Cl:45])([Cl:46])[Cl:47].[Cl-:23].[OH2:37].[OH:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[O:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH3:20])[cH:21][cH:22]1.[cH:38]1[cH:39][cH:40][n:41][cH:42][cH:43]1>>[O:1]([c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[O:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH3:20])[cH:21][cH:22]1)[C:32]([c:31]1[cH:30][cH:29][c:28]([O:27][C:24]([CH3:25])=[O:26])[cH:36][cH:35]1)=[O:33]