HRID99863

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID10371

3-Pyridinecarboxaldehyde

C6H5NO

HCID19507

1-Azabicyclo[2.2.2]octan-3-one

C7H11NO

HCID611822

2-(3-pyridylmethylene)-1-azabicyclo[2.2.2]octan-3one

C13H14N2O

HCID22311359

未命名化合物

PRODUCTS

生成物

HCID10220058

2-(3-Pyridinylmethyl)-1-azabicyclo[2.2.2]octan-3-ol

C13H18N2O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d4229fff8bac4a54a90162578e51afd5
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

[CH3:57][OH:58].[ClH:31].[N:32]12[CH2:33][CH2:34][CH:35]([CH2:36][CH2:37]1)[C:38](=[O:39])[CH2:40]2.[c:1]1([O:7][CH:8]2[CH:9]([CH2:16][c:17]3[cH:18][n:19][cH:20][cH:21][cH:22]3)[N:10]3[CH2:11][CH2:12][CH:13]2[CH2:14][CH2:15]3)[cH:2][cH:3][cH:4][cH:5][cH:6]1.[n:23]1[cH:24][cH:25][cH:26][c:27]([CH:28]=[O:29])[cH:30]1.[n:41]1[cH:42][cH:43][cH:44][c:45]([CH:46]=[C:47]2[C:48](=[O:49])[CH:50]3[CH2:51][CH2:52][N:53]2[CH2:54][CH2:55]3)[cH:56]1>>[OH:7][CH:8]1[CH:9]([CH2:16][c:17]2[cH:18][n:19][cH:20][cH:21][cH:22]2)[N:10]2[CH2:11][CH2:12][CH:13]1[CH2:14][CH2:15]2