HRID2322439

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID2778691

4-(Trifluoromethoxy)phenacyl bromide

C9H6BrF3O2

结构：CS(=O)(=O)c1ccc(-n2ncc3c(OC4CCNCC4)ncnc32)c(F)c1

HCID21897553

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)c1ccc(-n2ncc3c(OC4CCN(CC(=O)c5ccc(OC(F)(F)F)cc5)CC4)ncnc32)c(F)c1

HCID21897503

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0ab7d8e5455343e8926df2677373b75b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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