HRID2150022

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID1049

Pyridine

C5H5N

HCID6212

Chloroform

CHCl3

HCID19108660

未命名化合物

结构：O=C(Cl)C(OCc1ccc(-c2ccc(Cl)cc2)cc1)(C(F)(F)F)C(F)(F)F

HCID20314465

未命名化合物

PRODUCTS

生成物

结构：CC(C)(COC(=O)C(OCc1ccc(-c2ccc(Cl)cc2)cc1)(C(F)(F)F)C(F)(F)F)Oc1ccc(Cl)cc1

HCID53697295

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f48e2a4b50cb4894870d9a7e09130ce7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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