HRID2156097

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID8857

Ethyl Acetate

C4H8O2

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID2783168

5-Bromo-2-fluoropyridine

C5H3BrFN

HCID3530572

1-Tert-butylpiperazine

C8H18N2

HCID4574913

未命名化合物

PRODUCTS

产物

HCID67412191

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-f04b1ded39794a36938ab8e93e81ff71
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应SMILES

[Br:11][c:12]1[cH:13][cH:14][c:15]([F:18])[n:16][cH:17]1.[C:1]([CH3:2])([CH3:3])([CH3:4])[N:5]1[CH2:6][CH2:7][NH:8][CH2:9][CH2:10]1.[CH3:19][C:20]([CH3:21])([O-:22])[CH3:23].[CH3:25][CH2:26][O:27][C:28](=[O:29])[CH3:30].[CH3:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[Na+:24].[O:40]=[C:41]([CH:42]=[CH:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1)[CH:50]=[CH:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1.[O:58]=[C:59]([CH:60]=[CH:61][c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1)[CH:68]=[CH:69][c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1.[O:76]=[C:77]([CH:78]=[CH:79][c:80]1[cH:81][cH:82][cH:83][cH:84][cH:85]1)[CH:86]=[CH:87][c:88]1[cH:89][cH:90][cH:91][cH:92][cH:93]1.[Pd:38].[Pd:39]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[N:5]1[CH2:6][CH2:7][N:8]([c:12]2[cH:13][cH:14][c:15]([F:18])[n:16][cH:17]2)[CH2:9][CH2:10]1