HRID1575250

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID813

Potassium cation

K+

2 次

HCID1140

Toluene

C7H8

HCID16028

Tetrabutylammonium

C16H36N+

HCID19660

Carbonate

CO3-2

HCID152115

2,2,3,3-Tetramethylcyclopropanecarboxylic acid

C8H14O2

HCID12713810

未命名化合物

PRODUCTS

生成物

结构：CC1(C)C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C

HCID47326

Fenpropathrin

C22H23NO3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bf95725c82444d7391b53048ae15dd69
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br-:34].[C:11](=[O:12])([O-:13])[O-:14].[C:17](#[N:18])[CH:19]([c:20]1[cH:21][c:22]([O:26][c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[cH:23][cH:24][cH:25]1)[Br:33].[CH3:1][C:2]1([CH3:10])[CH:3]([C:7](=[O:8])[OH:9])[C:4]1([CH3:5])[CH3:6].[CH3:35][CH2:36][CH2:37][CH2:38][N+:39]([CH2:40][CH2:41][CH2:42][CH3:43])([CH2:44][CH2:45][CH2:46][CH3:47])[CH2:48][CH2:49][CH2:50][CH3:51].[CH3:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[K+:15].[K+:16]>>[CH3:1][C:2]1([CH3:10])[CH:3]([C:7](=[O:8])[O:9][CH:19]([C:17]#[N:18])[c:20]2[cH:21][c:22]([O:26][c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[cH:23][cH:24][cH:25]2)[C:4]1([CH3:5])[CH3:6]