HRID305598

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

结构：O=c1[nH]nc2c(-c3ccncc3)c(-c3ccc(Cl)cc3)ccn12

HCID57799392

未命名化合物

HCID59834819

3-(Chloromethyl)-2-methoxy-6-(trifluoromethyl)pyridine

C8H7ClF3NO

PRODUCTS

生成物

结构：COc1nc(C(F)(F)F)ccc1Cn1nc2c(-c3ccncc3)c(-c3ccc(Cl)cc3)ccn2c1=O

HCID16004807

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-73c31671b93d4c5cb695ced06d7168a7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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