HRID184866

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID1118

Sulfuric acid

H2O4S

HCID1140

Toluene

C7H8

HCID12313

3-Chloro-1-propanol

C3H7ClO

HCID16028

Tetrabutylammonium

C16H36N+

HCID30165

Iodide ion

I-

HCID11346738

未命名化合物

PRODUCTS

生成物

HCID11313980

3-[2,6-dichloro-4-(3,3-dichloroallyloxy)-phenoxy]-propan-1-ol

C12H12Cl4O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-13c3885326014222ad1abd3bbf58f35b
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

[CH2:29]([N+:30]([CH2:31][CH2:32][CH2:33][CH3:34])([CH2:35][CH2:36][CH2:37][CH3:38])[CH2:39][CH2:40][CH2:41][CH3:42])[CH2:43][CH2:44][CH3:45].[CH3:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1.[Cl:1][CH2:2][CH2:3][CH2:4][OH:5].[Cl:6][c:7]1[c:8]([OH:20])[c:9]([Cl:19])[cH:10][c:11]([O:13][CH2:14][CH:15]=[C:16]([Cl:17])[Cl:18])[cH:12]1.[I-:28].[Na+:22].[OH-:21].[OH2:46].[S:23](=[O:24])(=[O:25])([OH:26])[OH:27]>>[CH2:2]([CH2:3][CH2:4][OH:5])[O:20][c:8]1[c:7]([Cl:6])[cH:12][c:11]([O:13][CH2:14][CH:15]=[C:16]([Cl:17])[Cl:18])[cH:10][c:9]1[Cl:19]