HRID1214352

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID12162

Benzonitrile, 4-bromo-

C7H4BrN

HCID30165

Iodide ion

I-

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

HCID178469115

未命名化合物

PRODUCTS

生成物

HCID12143161

Ethyl 4'-cyano[1,1'-biphenyl]-4-carboxylate

C16H13NO2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-88280f9e22b1496c99c97bf967215914
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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