HRID1136110

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID12274

Pyridine, 2,6-dibromo-

C5H3Br2N

HCID3570229

2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

C13H16BNO2

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

PRODUCTS

生成物

HCID22180785

2-(6-Bromopyridin-2-yl)benzonitrile

C12H7BrN2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0c8a04ba77954defa53788a08d25d069
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:1][c:2]1[n:3][c:4]([Br:8])[cH:5][cH:6][cH:7]1.[CH3:34][N:35]([CH3:36])[CH:37]=[O:38].[CH3:9][C:10]1([CH3:11])[C:12]([CH3:13])([CH3:14])[O:15][B:16]([c:17]2[c:18]([C:19]#[N:20])[cH:21][cH:22][cH:23][cH:24]2)[O:25]1.[K+:31].[K+:32].[K+:33].[OH2:39].[P:26]([O-:27])([O-:28])([O-:29])=[O:30].[cH:40]1[cH:41][cH:42][c:43]([P:44]([Pd:45]([P:46]([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)([P:65]([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[P:84]([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)([c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)[cH:115][cH:116]1>>[c:2]1(-[c:17]2[c:18]([C:19]#[N:20])[cH:21][cH:22][cH:23][cH:24]2)[n:3][c:4]([Br:8])[cH:5][cH:6][cH:7]1