HRID671638

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6425

2,3-Butanediol, 2,3-dimethyl-

C6H14O2

HCID8071

未命名化合物

HCID16272

Benzonitrile, 2-bromo-

C7H4BrN

HCID2763280

2-Fluoro-5-nitrophenylboronic acid

C6H5BFNO4

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

HCID11447861

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d4da5576e5fd4b63a7d5a8c801550821
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Br:22][c:23]1[c:24]([C:25]#[N:26])[cH:27][cH:28][cH:29][cH:30]1.[CH3:31][O:32][CH2:33][CH2:34][O:35][CH3:36].[F:9][c:10]1[c:11]([B:19]([OH:20])[OH:21])[cH:12][c:13]([N+:16](=[O:17])[O-:18])[cH:14][cH:15]1.[Na+:41].[O-:37][C:38]([OH:39])=[O:40].[OH:1][C:2]([C:3]([OH:4])([CH3:5])[CH3:6])([CH3:7])[CH3:8].[cH:42]1[cH:43][cH:44][c:45]([P:46]([Pd:47]([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)[P:86]([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)([c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)([c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)[c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)[cH:117][cH:118]1>>[F:9][c:10]1[c:11](-[c:23]2[c:24]([C:25]#[N:26])[cH:27][cH:28][cH:29][cH:30]2)[cH:12][c:13]([N+:16](=[O:17])[O-:18])[cH:14][cH:15]1