HRID178480

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID8082

Piperidine

C5H11N

HCID12167

Benzene, 1-chloro-4-methoxy-

C7H7ClO

HCID23938

Palladium

2 次

HCID95417

1,5-Diphenyl-1,4-pentadien-3-one

C17H14O

3 次

HCID4574913

未命名化合物

PRODUCTS

生成物

HCID10130315

N-(4-methoxyphenyl)piperidine

C12H17NO

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6c769fd8dc4c43198c6d461ec6852d27
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:10]1[CH2:11][CH2:12][NH:13][CH2:14][CH2:15]1.[CH3:16][C:17]([CH3:18])([O-:19])[CH3:20].[CH3:22][c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]([O:8][CH3:9])[cH:6][cH:7]1.[Na+:21].[O:31]=[C:32]([CH:33]=[CH:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1)[CH:41]=[CH:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[O:49]=[C:50]([CH:51]=[CH:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1)[CH:59]=[CH:60][c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1.[O:67]=[C:68]([CH:69]=[CH:70][c:71]1[cH:72][cH:73][cH:74][cH:75][cH:76]1)[CH:77]=[CH:78][c:79]1[cH:80][cH:81][cH:82][cH:83][cH:84]1.[Pd:29].[Pd:30]>>[c:2]1([N:13]2[CH2:12][CH2:11][CH2:10][CH2:15][CH2:14]2)[cH:3][cH:4][c:5]([O:8][CH3:9])[cH:6][cH:7]1