HRID2137149

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID593919

6-Bromopicolinic acid

C6H4BrNO2

HCID11020077

2-(4-Fluorophenyl)-5,5-dimethyl-1,3,2-dioxaborinane

C11H14BFO2

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

HCID21081708

6-(4-Fluorophenyl)pyridine-2-carboxylic acid

C12H8FNO2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-27220692803543f992136ac364cba9ba
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][cH:5][c:6]([C:8](=[O:9])[OH:10])[n:7]1.[C:11](=[O:12])([O-:13])[O-:14].[CH3:32][CH2:33][OH:34].[CH3:35][O:36][CH2:37][CH2:38][O:39][CH3:40].[F:17][c:18]1[cH:19][cH:20][c:21]([B:24]2[O:25][CH2:26][C:27]([CH3:28])([CH3:29])[CH2:30][O:31]2)[cH:22][cH:23]1.[Na+:15].[Na+:16].[cH:41]1[cH:42][cH:43][c:44]([P:45]([Pd:46]([P:47]([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)([P:66]([c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[P:85]([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)[c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)([c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)[cH:116][cH:117]1>>[c:2]1(-[c:21]2[cH:20][cH:19][c:18]([F:17])[cH:23][cH:22]2)[cH:3][cH:4][cH:5][c:6]([C:8](=[O:9])[OH:10])[n:7]1