HRID319885

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID4837

Piperazine

C4H10N2

HCID12286

3-Bromopyridine

C5H4BrN

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

HCID437234

1-Pyridin-3-yl-piperazine

C9H13N3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-03b8508e3a7e43a5b6113fb963ae2da2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:1][c:2]1[cH:3][n:4][cH:5][cH:6][cH:7]1.[CH2:8]1[CH2:9][NH:10][CH2:11][CH2:12][NH:13]1.[CH3:14][C:15]([CH3:16])([O-:17])[CH3:18].[CH3:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1.[CH:30](=[CH:31][C:32]([CH:33]=[CH:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1)=[O:41])[c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[CH:48](=[CH:49][C:50]([CH:51]=[CH:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1)=[O:59])[c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1.[CH:66](=[CH:67][C:68]([CH:69]=[CH:70][c:71]1[cH:72][cH:73][cH:74][cH:75][cH:76]1)=[O:77])[c:78]1[cH:79][cH:80][cH:81][cH:82][cH:83]1.[Na+:19].[OH2:27].[Pd:28].[Pd:29]>>[c:2]1([N:10]2[CH2:9][CH2:8][NH:13][CH2:12][CH2:11]2)[cH:3][n:4][cH:5][cH:6][cH:7]1