HRID682821

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID19750

4-Chloro-4'-fluorobutyrophenone

C10H10ClFO

HCID31275

1,4-Dioxane

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID22735754

未命名化合物

PRODUCTS

生成物

结构：O=C(CCCN1CCC2c3cccc4c3N(CCO4)C2CC1)c1ccc(F)cc1

HCID22735447

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8ee75a94e14d460595d8d8f308efdd1e
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

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