HRID210469

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID19660

Carbonate

CO3-2

HCID66827

Boronic acid, phenyl-

C6H7BO2

HCID817154

5-Bromo-2-Cyanopyridine

C6H3BrN2

结构：c1ccc(C(P[Pd](PC(c2ccccc2)(c2ccccc2)c2ccccc2)(PC(c2ccccc2)(c2ccccc2)c2ccccc2)PC(c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420430

未命名化合物

PRODUCTS

生成物

HCID935276

5-phenylpyridine-2-carbonitrile

C12H8N2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7d264a3094b04e48b69df5da83cf1d40
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][cH:4][c:5]([C:8]#[N:9])[n:6][cH:7]1.[C:31]([PH:32][Pd:33]([PH:34][C:35]([c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)([c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1)[c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1)([PH:54][C:55]([c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1)([c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1)[c:68]1[cH:69][cH:70][cH:71][cH:72][cH:73]1)[PH:74][C:75]([c:76]1[cH:77][cH:78][cH:79][cH:80][cH:81]1)([c:82]1[cH:83][cH:84][cH:85][cH:86][cH:87]1)[c:88]1[cH:89][cH:90][cH:91][cH:92][cH:93]1)([c:94]1[cH:95][cH:96][cH:97][cH:98][cH:99]1)([c:100]1[cH:101][cH:102][cH:103][cH:104][cH:105]1)[c:106]1[cH:107][cH:108][cH:109][cH:110][cH:111]1.[CH3:112][CH2:113][OH:114].[Na+:19].[Na+:20].[O-:21][C:22](=[O:23])[O-:24].[c:10]1([B:16]([OH:17])[OH:18])[cH:11][cH:12][cH:13][cH:14][cH:15]1.[cH:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1>>[c:2]1(-[c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[cH:3][cH:4][c:5]([C:8]#[N:9])[n:6][cH:7]1