HRID686152

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

HCID94459

1-(2-Pyridinyl)piperazine

C9H13N3

结构：FC(F)(F)c1nc(Cl)c(-c2ccccc2)c(-c2ccccc2)n1

HCID10404680

4-chloro-5,6-diphenyl-2-(trifluoromethyl)pyrimidine

C17H10ClF3N2

PRODUCTS

生成物

结构：FC(F)(F)c1nc(-c2ccccc2)c(-c2ccccc2)c(N2CCN(c3ccccn3)CC2)n1

HCID24959026

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8bd94bbaadd649a199dbbfe4501dbd2f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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