HRID147526

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8058

n-Hexane

C6H14

HCID85812

Morpholino(phenyl)acetonitrile

C12H14N2O

HCID166653

Hydride

H-

HCID3570093

未命名化合物

PRODUCTS

生成物

结构：COC(OC)c1cc(C(C#N)(c2ccccc2)N2CCOCC2)ccc1[N+](=O)[O-]

HCID58625101

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4c90a3462a0d409abd8fcb694e112f1f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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