HRID664259

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID6367

Acetyl chloride

C2H3ClO

结构：COC(c1ccc(C(F)(F)F)cc1CNCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCCCC1

HCID58968615

未命名化合物

PRODUCTS

生成物

结构：COC(c1ccc(C(F)(F)F)cc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(C)=O)C1CCCCC1

HCID58968634

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7b260281f8fa45cb8d166861226c9aff
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:43][C:44]([Cl:45])=[O:46].[CH:1]1([CH:7]([c:8]2[c:9]([CH2:10][NH:11][CH2:12][c:13]3[cH:14][c:15]([C:23]([F:24])([F:25])[F:26])[cH:16][c:17]([C:19]([F:20])([F:21])[F:22])[cH:18]3)[cH:27][c:28]([C:31]([F:32])([F:33])[F:34])[cH:29][cH:30]2)[O:35][CH3:36])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[Cl:47][CH2:48][Cl:49].[cH:37]1[cH:38][cH:39][n:40][cH:41][cH:42]1>>[CH:1]1([CH:7]([c:8]2[c:9]([CH2:10][N:11]([CH2:12][c:13]3[cH:14][c:15]([C:23]([F:24])([F:25])[F:26])[cH:16][c:17]([C:19]([F:20])([F:21])[F:22])[cH:18]3)[C:44]([CH3:43])=[O:46])[cH:27][c:28]([C:31]([F:32])([F:33])[F:34])[cH:29][cH:30]2)[O:35][CH3:36])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1