HRID158338

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID23938

Palladium

2 次

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

HCID21071029

未命名化合物

PRODUCTS

生成物

HCID21071022

1-[4-Chloro-3-(1-methylethoxy)phenyl]piperazine

C13H19ClN2O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8695e4a9242d4db9834dbbeeca6b62a6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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