HRID286138

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID8900

Heptane

C7H16

HCID9237

1,4-Diazabicyclo[2.2.2]octane

C6H12N2

HCID91658

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

C8H10Cl2O2

HCID12853034

3-(Bromomethyl)-2,4-difluoro-1,1'-biphenyl

C13H9BrF2

PRODUCTS

生成物

结构：CC1(C)C(C=C(Cl)Cl)C1C(=O)OCc1c(F)ccc(-c2ccccc2)c1F

HCID12853035

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-055144019fda4626bb0e2e740f02ca6b
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:15][CH2:16][c:17]1[c:18]([F:30])[c:19](-[c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[cH:20][cH:21][c:22]1[F:23].[CH3:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH3:45].[CH3:47][C:48]#[N:49].[Cl:1][C:2](=[CH:3][CH:4]1[C:5]([CH3:10])([CH3:11])[CH:6]1[C:7](=[O:8])[OH:9])[Cl:12].[N:31]12[CH2:32][CH2:33][N:34]([CH2:35][CH2:36]1)[CH2:37][CH2:38]2.[Na+:14].[OH-:13].[OH2:46]>>[Cl:1][C:2](=[CH:3][CH:4]1[C:5]([CH3:10])([CH3:11])[CH:6]1[C:7](=[O:8])[O:9][CH2:16][c:17]1[c:18]([F:30])[c:19](-[c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[cH:20][cH:21][c:22]1[F:23])[Cl:12]