HRID122574

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

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

HCID3864405

3-(Bromomethyl)biphenyl

C13H11Br

PRODUCTS

生成物

结构：CC1(C)C(C=C(Cl)Cl)C1C(=O)OCc1cccc(-c2ccccc2)c1

HCID12944755

[1,1′-Biphenyl]-3-ylmethyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate

C21H20Cl2O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5c239ab2a38a4769bf485eac59b1c4ba
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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