HRID2313189

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

反应SMILES：CN(C(=O)c1ccc(Cl)c(-c2cnc(C(F)(F)F)cc2C#N)c1)c1ccccc1O

HCID68602839

未命名化合物

HCID86642582

未命名化合物

PRODUCTS

产物

反应SMILES：CN(C(=O)c1ccc(Cl)c(-c2cnc(C(F)(F)F)cc2C#N)c1)c1ccccc1OCCOc1ccccn1

HCID59370347

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-c2f5d2b2297c490c996cba2cbe3d2082
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

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