HRID149966

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID8900

Heptane

C7H16

HCID156507

3-(2-Chloro-3,3,3-trifluoro-1-propen-1-yl)-2,2-dimethylcyclopropanecarboxylic acid

C9H10ClF3O2

HCID13282519

3-(Chloromethyl)-2-methyl-1,1'-biphenyl

C14H13Cl

PRODUCTS

生成物

结构：Cc1c(COC(=O)C2C(C=C(Cl)C(F)(F)F)C2(C)C)cccc1-c1ccccc1

HCID54901

2-Methyl-3-phenylbenzyl 3-(2-chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-dimethylcyclopropanecarboxylate

C23H22ClF3O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-830652a0487e4d77a285ec0a0afecbb6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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