HRID304158

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID6365

1,1-Dichloroethane

C2H4Cl2

HCID8471

Triethylamine

C6H15N

HCID23994

Zinc

HCID24386

Thionyl chloride

Cl2OS

结构：COc1cc(C2(O)C(=O)N(C(c3ccccc3)c3ccccc3)c3ccccc32)c(O)cc1F

HCID67357402

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C2C(=O)N(C(c3ccccc3)c3ccccc3)c3ccccc32)c(O)cc1F

HCID67377396

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c937fc9541e24ceeb13d5734efe2f0b4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:35][CH2:36][N:37]([CH2:38][CH3:39])[CH2:40][CH3:41].[CH3:46][C:47](=[O:48])[OH:49].[Cl:50][CH:51]([Cl:52])[CH3:53].[S:42]([Cl:43])([Cl:44])=[O:45].[Zn:54].[c:1]1([CH:7]([N:8]2[C:9](=[O:28])[C:10]([OH:17])([c:18]3[c:19]([OH:27])[cH:20][c:21]([F:26])[c:22]([O:24][CH3:25])[cH:23]3)[c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]32)[c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH:7]([N:8]2[C:9](=[O:28])[CH:10]([c:18]3[c:19]([OH:27])[cH:20][c:21]([F:26])[c:22]([O:24][CH3:25])[cH:23]3)[c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]32)[c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1