HRID669006

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7909

4-Methyl-2-pentanone

C6H12O

HCID7912

Diisopropylamine

C6H15N

HCID16452

1-propanone, 2-bromo-1-phenyl-

C9H9BrO

HCID162172

Noralfentanil

C16H24N2O2

PRODUCTS

生成物

结构：CCC(=O)N(c1ccccc1)C1(COC)CCN(C(C)C(=O)c2ccccc2)CC1

HCID12298105

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a8856fb9df87444aa058ad24e726c7e4
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][CH:2]([C:3](=[O:4])[c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1)[CH3:11].[CH3:12][O:13][CH2:14][C:15]1([N:21]([C:22]([CH2:23][CH3:24])=[O:25])[c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[CH2:16][CH2:17][NH:18][CH2:19][CH2:20]1.[CH3:32][CH:33]([NH:34][CH:35]([CH3:36])[CH3:37])[CH3:38].[CH3:39][CH:40]([CH3:41])[CH2:42][C:43](=[O:44])[CH3:45]>>[CH:2]([C:3](=[O:4])[c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1)([CH3:11])[N:18]1[CH2:17][CH2:16][C:15]([CH2:14][O:13][CH3:12])([N:21]([C:22]([CH2:23][CH3:24])=[O:25])[c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[CH2:20][CH2:19]1