HRID2318647

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID24386

Thionyl chloride

Cl2OS

HCID86577

2-(Ethoxycarbonyl)cyclohexane-1-carboxylic acid

C10H16O4

HCID13272926

4-Chloro-2-fluoro-5-[(prop-2-en-1-yl)oxy]aniline

C9H9ClFNO

PRODUCTS

生成物

结构：C=CCOc1cc(NC(=O)C2CCCCC2C(=O)OCC)c(F)cc1Cl

HCID14517279

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-506bbfb2827745e5acd82c9a43406069
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:19]([CH:20]=[CH2:21])[O:22][c:23]1[c:24]([Cl:31])[cH:25][c:26]([F:30])[c:27]([NH2:28])[cH:29]1.[CH2:1]([CH3:2])[O:3][C:4]([CH:5]1[CH:6]([C:7](=[O:8])[OH:9])[CH2:10][CH2:11][CH2:12][CH2:13]1)=[O:14].[CH2:33]([Cl:34])[Cl:35].[CH3:36][CH2:37][N:38]([CH2:39][CH3:40])[CH2:41][CH3:42].[ClH:32].[S:15]([Cl:16])([Cl:17])=[O:18].[cH:43]1[cH:44][cH:45][n:46][cH:47][cH:48]1>>[CH2:1]([CH3:2])[O:3][C:4]([CH:5]1[CH:6]([C:7](=[O:9])[NH:28][c:27]2[c:26]([F:30])[cH:25][c:24]([Cl:31])[c:23]([O:22][CH2:19][CH:20]=[CH2:21])[cH:29]2)[CH2:10][CH2:11][CH2:12][CH2:13]1)=[O:14]