HRID98201

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

HCID8082

Piperidine

C5H11N

HCID8658

2-Methoxybenzaldehyde

C8H8O2

HCID8868

Ethyl acetoacetate

C6H10O3

HCID28486

Lithium ion

Li+

HCID104727

Aluminum Cation

Al+3

HCID166653

Hydride

H-

4 次

HCID4574913

未命名化合物

HCID5163733

未命名化合物

PRODUCTS

生成物

HCID544738

4-(2-Methoxyphenyl)piperidine

C12H17NO

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-212cc50f2fe5421486319387a4edfa5c
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

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