HRID676872

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

2 次

HCID7666

Phenethyl bromide

C8H9Br

HCID7909

4-Methyl-2-pentanone

C6H12O

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID162172

Noralfentanil

C16H24N2O2

PRODUCTS

生成物

结构：CCC(=O)N(c1ccccc1)C1(COC)CCN(CCc2ccccc2)CC1

HCID124716

4-Methoxymethylfentanyl

C24H32N2O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8fd2619ae1e6457f9fbe7102ff99e20d
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:1][CH2:2][CH2:3][c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1.[CH3:10][O:11][CH2:12][C:13]1([N:19]([C:20]([CH2:21][CH3:22])=[O:23])[c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[CH2:14][CH2:15][NH:16][CH2:17][CH2:18]1.[CH3:38][CH:39]([CH3:40])[CH2:41][C:42](=[O:43])[CH3:44].[I-:31].[K+:30].[Na+:32].[Na+:33].[O-:34][C:35](=[O:36])[O-:37]>>[CH2:2]([CH2:3][c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[N:16]1[CH2:15][CH2:14][C:13]([CH2:12][O:11][CH3:10])([N:19]([C:20]([CH2:21][CH3:22])=[O:23])[c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[CH2:18][CH2:17]1