HRID1572598

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+

HCID13034557

2-(4-Chlorophenyl)-2-methylpropan-1-ol

C10H13ClO

HCID13535631

1-(Chloromethyl)-3-(2-fluoroethoxy)benzene

C9H10ClFO

PRODUCTS

生成物

HCID13367596

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-98ffa283e6434815b0b71964f3662c8a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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