HRID180834

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID68034

Methanesulfonic acid, 2-fluoroethyl ester

C3H7FO3S

HCID104967

Cesium(1+)

Cs+

2 次

结构：CC(NC(=O)C(C)(C)Oc1ccc(C(F)(F)F)cn1)C(Cc1ccc(O)cc1)c1cc(F)cc(C#N)c1

HCID68656491

未命名化合物

PRODUCTS

生成物

结构：CC(NC(=O)C(C)(C)Oc1ccc(C(F)(F)F)cn1)C(Cc1ccc(OCCF)cc1)c1cc(F)cc(C#N)c1

HCID11478538

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d86762a727714a3da8754796b08a85d0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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