HRID1567208

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID23938

Palladium

2 次

HCID31275

1,4-Dioxane

C4H8O2

HCID69369

3,5-Dibromopyridine

C5H3Br2N

HCID95417

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

C17H14O

3 次

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

HCID4574913

未命名化合物

PRODUCTS

生成物

HCID11653049

Tert-butyl 4-(5-bromopyridin-3-yl)piperazine-1-carboxylate

C14H20BrN3O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aa40f65028c241c2a1cdc0b875350cbf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:1][c:2]1[cH:3][n:4][cH:5][c:6]([Br:8])[cH:7]1.[C:9]([CH3:10])([CH3:11])([CH3:12])[O:13][C:14](=[O:15])[N:16]1[CH2:17][CH2:18][NH:19][CH2:20][CH2:21]1.[CH3:22][C:23]([CH3:24])([O-:25])[CH3:26].[Na+:27].[O:28]1[CH2:29][CH2:30][O:31][CH2:32][CH2:33]1.[O:36]=[C:37]([CH:38]=[CH:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1)[CH:46]=[CH:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1.[O:54]=[C:55]([CH:56]=[CH:57][c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1)[CH:64]=[CH:65][c:66]1[cH:67][cH:68][cH:69][cH:70][cH:71]1.[O:72]=[C:73]([CH:74]=[CH:75][c:76]1[cH:77][cH:78][cH:79][cH:80][cH:81]1)[CH:82]=[CH:83][c:84]1[cH:85][cH:86][cH:87][cH:88][cH:89]1.[Pd:34].[Pd:35]>>[c:2]1([N:19]2[CH2:18][CH2:17][N:16]([C:14]([O:13][C:9]([CH3:10])([CH3:11])[CH3:12])=[O:15])[CH2:21][CH2:20]2)[cH:3][n:4][cH:5][c:6]([Br:8])[cH:7]1