HRID2159868

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID3847770

4-Bromo-2-chloropyridine

C5H3BrClN

HCID11788701

Isobutyl piperazine-1-carboxylate

C9H18N2O2

PRODUCTS

生成物

HCID58853192

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d808ee81ba2e4cb7b7cadbdd43b7ef10
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:1][c:2]1[cH:3][c:4]([Cl:8])[n:5][cH:6][cH:7]1.[CH3:22][c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1.[CH3:29][CH2:30][O:31][C:32]([CH3:33])=[O:34].[N:9]1([C:15](=[O:16])[O:17][CH2:18][CH:19]([CH3:20])[CH3:21])[CH2:10][CH2:11][NH:12][CH2:13][CH2:14]1.[O:37]=[C:38]([CH:39]=[CH:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1)[CH:47]=[CH:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1.[O:55]=[C:56]([CH:57]=[CH:58][c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1)[CH:65]=[CH:66][c:67]1[cH:68][cH:69][cH:70][cH:71][cH:72]1.[O:73]=[C:74]([CH:75]=[CH:76][c:77]1[cH:78][cH:79][cH:80][cH:81][cH:82]1)[CH:83]=[CH:84][c:85]1[cH:86][cH:87][cH:88][cH:89][cH:90]1.[Pd:35].[Pd:36]>>[c:2]1([N:12]2[CH2:11][CH2:10][N:9]([C:15](=[O:16])[O:17][CH2:18][CH:19]([CH3:20])[CH3:21])[CH2:14][CH2:13]2)[cH:3][c:4]([Cl:8])[n:5][cH:6][cH:7]1