HRID822045

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID18399610

2-tert-Butyl-4-(piperazin-1-yl)-6-(trifluoromethyl)pyrimidine

C13H19F3N4

HCID178430497

未命名化合物

PRODUCTS

生成物

HCID312

Chloride

Cl-

结构：Cc1cn(CCCC[NH+]2CCN(c3cc(C(F)(F)F)nc(C(C)(C)C)n3)CC2)c(=O)nc1O

HCID178430503

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-51b3f2d1b8cf40f390e0c7c456a62be1
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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