HRID1142805

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID31275

1,4-Dioxane

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID2773912

2-Chloro-4-(trifluoromethyl)pyrimidine

C5H2ClF3N2

HCID23282901

未命名化合物

PRODUCTS

生成物

结构：CC1(NC(=O)OCc2ccccc2)CCN(c2nccc(C(F)(F)F)n2)CC1

HCID66757074

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e84ddbda1de44f86bb977df3e03d30f7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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