HRID200841

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID81531

Diisopropylethylamine

C8H19N

HCID1445156

4-Acetamidopiperidine

C7H14N2O

结构：O=c1cc(OCc2ccccc2F)ccn1CCc1ccc(CBr)cc1

HCID67006665

未命名化合物

PRODUCTS

生成物

结构：CC(=O)NC1CCN(Cc2ccc(CCn3ccc(OCc4ccccc4F)cc3=O)cc2)CC1

HCID58042701

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c3cbeaef87114dec8d8a10e485c9a899
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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