HRID213109

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID7412

Benzoyl chloride

C7H5ClO

HCID12804885

2-{4-[4-(Trifluoromethyl)phenoxy]phenoxy}propan-1-ol

C16H15F3O3

PRODUCTS

生成物

结构：CC(COC(=O)c1ccccc1)Oc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1

HCID12804900

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7508f0bb1fab44fc840345bf185948c9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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