HRID288381

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID2734357

2-Furanboronic acid

C4H5BO3

HCID22683816

5-Bromo-2,3-dimethoxybenzonitrile

C9H8BrNO2

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

HCID58432013

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1773a3b077104a7d92e326add059a4f3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([O:12][CH3:13])[c:5]([O:10][CH3:11])[c:6]([C:7]#[N:8])[cH:9]1.[C:28](=[O:29])([O-:30])[O-:31].[Na+:32].[Na+:33].[O:22]1[CH2:23][CH2:24][O:25][CH2:26][CH2:27]1.[OH2:111].[cH:34]1[cH:35][cH:36][c:37]([P:38]([Pd:39]([P:40]([c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)([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)([P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)([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)[P:78]([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)([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)[cH:109][cH:110]1.[o:14]1[c:15]([B:19]([OH:20])[OH:21])[cH:16][cH:17][cH:18]1>>[c:2]1(-[c:15]2[o:14][cH:18][cH:17][cH:16]2)[cH:3][c:4]([O:12][CH3:13])[c:5]([O:10][CH3:11])[c:6]([C:7]#[N:8])[cH:9]1