HRID316076

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID2782674

3-Fluoro-4-methylphenylboronic acid

C7H8BFO2

HCID3847770

4-Bromo-2-chloropyridine

C5H3BrClN

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

HCID86628637

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ff412c531d6b488590055c822bca1b2d
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

[CH3:16][CH2:17][OH:18].[CH3:9][c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1.[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6]([Br:8])[cH:7]1.[F:19][c:20]1[cH:21][c:22]([B:27]([OH:28])[OH:29])[cH:23][cH:24][c:25]1[CH3:26].[K+:30].[K+:31].[O-:32][C:33]([O-:34])=[O:35].[OH2:113].[cH:36]1[cH:37][cH:38][c:39]([P:40]([Pd:41]([P:42]([c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)([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)([P:61]([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)([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)[P:80]([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)([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)[cH:111][cH:112]1>>[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:22]2[cH:21][c:20]([F:19])[c:25]([CH3:26])[cH:24][cH:23]2)[cH:7]1