HRID689958

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID3776

Isopropanol

C3H8O

HCID81531

Diisopropylethylamine

C8H19N

HCID11737192

5-(2-Bromoethoxy)-2-methylquinoline

C12H12BrNO

HCID22326652

6-[(Piperidin-4-yl)methyl]-2H-1,4-benzoxazin-3(4H)-one

C14H18N2O2

PRODUCTS

生成物

结构：Cc1ccc2c(OCCN3CCC(Cc4ccc5c(c4)NC(=O)CO5)CC3)cccc2n1

HCID10296414

6-((1-(2-((2-Methylquinolin-5-yl)oxy)ethyl)piperidin-4-yl)methyl)-2H-1,4-benzoxazin-3(4H)-one

C26H29N3O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6c85c0244dbc474494307914ac49cafe
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

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