HRID95160

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID971

Oxalic acid

C2H2O4

HCID1140

Toluene

C7H8

HCID95510

Phenyl(pyridin-2-yl)acetonitrile

C13H10N2

HCID166653

Hydride

H-

HCID53939421

4-(2-Chloroethyl)-4-azatricyclo[4.3.1.13,8]undecane

C12H20ClN

PRODUCTS

产物

HCID54363483

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-93b625d9412a4585b0aa029fe46ec426
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

[CH3:16][c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1.[CH3:46][CH2:47][OH:48].[Cl:25][CH2:26][CH2:27][N:28]1[CH:29]2[CH2:30][CH:31]3[CH2:32][CH:33]([CH2:34][CH:35]([CH2:36]1)[CH2:37]3)[CH2:38]2.[H-:23].[Na+:24].[OH2:45].[OH:39][C:40]([C:41](=[O:42])[OH:43])=[O:44].[n:1]1[c:2]([CH:7]([C:8]#[N:9])[c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[cH:3][cH:4][cH:5][cH:6]1>>[n:1]1[c:2]([C:7]([C:8]#[N:9])([c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[CH2:26][CH2:27][N:28]2[CH:29]3[CH2:30][CH:31]4[CH2:32][CH:33]([CH2:34][CH:35]([CH2:36]2)[CH2:37]4)[CH2:38]3)[cH:3][cH:4][cH:5][cH:6]1