HRID1112942

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID12162

Benzonitrile, 4-bromo-

C7H4BrN

HCID23938

Palladium

HCID15745098

未命名化合物

PRODUCTS

生成物

结构：CCCc1ccc(-c2ccc(-c3ccc(C#N)cc3)cc2F)cc1

HCID22008063

3′-Fluoro-4′′-propyl[1,1′:4′,1′′-terphenyl]-4-carbonitrile

C22H18FN

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5c8ee73d96ae4b52b8c81295e2870b91
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:20][c:21]1[cH:22][cH:23][c:24]([C:25]#[N:26])[cH:27][cH:28]1.[CH2:1]([CH2:2][CH3:3])[c:4]1[cH:5][cH:6][c:7](-[c:10]2[c:11]([F:19])[cH:12][c:13]([B:16]([OH:17])[OH:18])[cH:14][cH:15]2)[cH:8][cH:9]1.[Pd:29].[c:30]1([P:31]([c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[cH:44][cH:45][cH:46][cH:47][cH:48]1.[c:49]1([P:50]([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[cH:63][cH:64][cH:65][cH:66][cH:67]1.[c:68]1([P:69]([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[cH:82][cH:83][cH:84][cH:85][cH:86]1.[c:87]1([P:88]([c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[cH:101][cH:102][cH:103][cH:104][cH:105]1>>[CH2:1]([CH2:2][CH3:3])[c:4]1[cH:5][cH:6][c:7](-[c:10]2[c:11]([F:19])[cH:12][c:13](-[c:21]3[cH:22][cH:23][c:24]([C:25]#[N:26])[cH:27][cH:28]3)[cH:14][cH:15]2)[cH:8][cH:9]1