HRID2153312

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID17208

Benzyltriethylammonium

C13H22N+

HCID19108660

未命名化合物

HCID20259267

1-(Chloromethyl)-4-(2-fluoroethoxy)benzene

C9H10ClFO

PRODUCTS

生成物

结构：CC(C)(COCc1ccc(OCCF)cc1)Oc1ccc(Cl)cc1

HCID13535661

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5068645492bd4f15ab3218e23fb80771
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

[Br-:29].[CH2:30]([N+:31]([CH2:32][CH3:33])([CH2:34][CH3:35])[CH2:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1)[CH3:43].[CH3:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[Cl:13][c:14]1[cH:15][cH:16][c:17]([O:18][C:19]([CH2:20][OH:21])([CH3:22])[CH3:23])[cH:24][cH:25]1.[F:1][CH2:2][CH2:3][O:4][c:5]1[cH:6][cH:7][c:8]([CH2:9][Cl:10])[cH:11][cH:12]1.[Na+:27].[OH-:26].[OH2:28]>>[F:1][CH2:2][CH2:3][O:4][c:5]1[cH:6][cH:7][c:8]([CH2:9][O:21][CH2:20][C:19]([O:18][c:17]2[cH:16][cH:15][c:14]([Cl:13])[cH:25][cH:24]2)([CH3:22])[CH3:23])[cH:11][cH:12]1