HRID1225193

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID68021

4-Fluorobenzyl bromide

C7H6BrF

结构：CS(=O)(=O)c1ccc(-c2cn[nH]c(=O)c2-c2ccc(F)cc2)cc1

HCID10291185

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)c1ccc(-c2cnn(Cc3ccc(F)cc3)c(=O)c2-c2ccc(F)cc2)cc1

HCID9825088

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2f3dc21df2654cf296614182a5c0d27f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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