HRID691337

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6342

Acetonitrile

C2H3N

HCID15122

1,4-Dichloro-2-butene

C4H6Cl2

HCID19660

Carbonate

CO3-2

结构：Cc1ccc(CC2CNCCN2C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1C

HCID18703556

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(CC2CN(CC=CCCl)CCN2C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1C

HCID178424587

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-18ede5c437304201bbf9a392b5a6a160
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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