HRID201523

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID23938

Palladium

2 次

HCID81531

Diisopropylethylamine

C8H19N

HCID95417

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

C17H14O

3 次

HCID519392

未命名化合物

HCID15965893

3-Bromo-5-chlorobenzonitrile

C7H3BrClN

PRODUCTS

生成物

HCID66878686

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d905f7f3c8c6430e95a64bb63cb5a3de
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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