HRID827885

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

HCID93654

2-Bromo-5-fluorobenzonitrile

C7H3BrFN

HCID95417

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

C17H14O

3 次

HCID12688643

未命名化合物

PRODUCTS

生成物

HCID63667696

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-753cd825da4c431b9309edf0cfbad779
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Br:1][c:2]1[c:3]([C:4]#[N:5])[cH:6][c:7]([F:10])[cH:8][cH:9]1.[CH2:11]([CH3:12])[S-:13].[CH3:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1.[CH:15]([N:16]([CH2:17][CH3:18])[CH:19]([CH3:20])[CH3:21])([CH3:22])[CH3:23].[ClH:24].[Na+:14].[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([S:13][CH2:11][CH3:12])[c:3]([C:4]#[N:5])[cH:6][c:7]([F:10])[cH:8][cH:9]1