HRID113445

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID2725006

1-Bromo-2-fluoro-4-iodobenzene

C6H3BrFI

HCID2734379

Pyridine-4-boronic acid

C5H6BNO2

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

HCID66684127

4-(4-Bromo-3-fluorophenyl)pyridine

C11H7BrFN

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7d61cf26300a4ffabc47189e05aeec1a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:17][c:18]1[c:19]([F:25])[cH:20][c:21]([I:24])[cH:22][cH:23]1.[CH3:26][c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1.[CH3:33][CH2:34][OH:35].[Na+:1].[Na+:2].[O-:3][C:4](=[O:5])[O-:6].[OH2:7].[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.[n:8]1[cH:9][cH:10][c:11]([B:14]([OH:15])[OH:16])[cH:12][cH:13]1>>[n:8]1[cH:9][cH:10][c:11](-[c:21]2[cH:20][c:19]([F:25])[c:18]([Br:17])[cH:23][cH:22]2)[cH:12][cH:13]1