HRID1240660

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

HCID7909

4-Methyl-2-pentanone

C6H12O

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID79266

4-Nitrophenethyl bromide

C8H8BrNO2

HCID259381

Norfentanyl

C14H20N2O

PRODUCTS

生成物

结构：CCC(=O)N(c1ccccc1)C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1

HCID13408923

N-{1-[2-(4-Nitrophenyl)ethyl]piperidin-4-yl}-N-phenylpropanamide

C22H27N3O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ae2a05ea061c407e907870e6ef0bf204
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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