HRID294902

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID16028

Tetrabutylammonium

C16H36N+

HCID91658

3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropanecarboxylic acid

C8H10Cl2O2

HCID2736999

3-(Difluoromethoxy)benzyl bromide

C8H7BrF2O

PRODUCTS

生成物

结构：CC1(C)C(C=C(Cl)Cl)C1C(=O)OCc1cccc(OC(F)F)c1

HCID23317034

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8c9f40a3a7154c6082f50dd53ec503ad
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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