HRID1550710

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID81531

Diisopropylethylamine

C8H19N

HCID18399610

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

C13H19F3N4

HCID68584244

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1nc(N2CCN(CCCCC(=O)N3CCCC(=O)c4ccccc43)CC2)cc(C(F)(F)F)n1

HCID68583150

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a9cfcfe15f724cd0bc0a1dcb5216ab6e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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