HRID2342561

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID12162

Benzonitrile, 4-bromo-

C7H4BrN

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID178435101

未命名化合物

PRODUCTS

生成物

结构：CC(NC1=NC(=O)C(C)(c2ccc(C#N)cc2)S1)c1ccccc1C(F)(F)F

HCID178463620

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-844e0b2874644807a0b023c7b9658b49
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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