HRID292717

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID1049

Pyridine

C5H5N

HCID10220561

3-{3-[(Piperidin-1-yl)methyl]phenoxy}propan-1-amine

C15H24N2O

结构：Cn1ccc(Cc2cnc(N[N+](=O)[O-])[nH]c2=O)cc1=O

HCID70354123

未命名化合物

PRODUCTS

生成物

结构：Cn1ccc(Cc2cnc(NCCCOc3cccc(CN4CCCCC4)c3)[nH]c2=O)cc1=O

HCID70353902

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a5201bab48ea4bcc835e3ab1d9c42bd5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:45][CH2:46][OH:47].[N+:19]([NH:20][c:23]1[n:24][cH:25][c:26]([CH2:30][c:31]2[cH:32][c:33](=[O:38])[n:34]([CH3:37])[cH:35][cH:36]2)[c:27](=[O:29])[nH:28]1)([O-:21])=[O:22].[N:1]1([CH2:7][c:8]2[cH:9][c:10]([O:11][CH2:12][CH2:13][CH2:14][NH2:15])[cH:16][cH:17][cH:18]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[cH:39]1[cH:40][cH:41][n:42][cH:43][cH:44]1>>[N:1]1([CH2:7][c:8]2[cH:9][c:10]([O:11][CH2:12][CH2:13][CH2:14][NH:15][c:23]3[n:24][cH:25][c:26]([CH2:30][c:31]4[cH:32][c:33](=[O:38])[n:34]([CH3:37])[cH:35][cH:36]4)[c:27](=[O:29])[nH:28]3)[cH:16][cH:17][cH:18]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1