HRID207382

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID1140

Toluene

C7H8

HCID10442

1,3-Propanediol

C3H8O2

HCID19660

Carbonate

CO3-2

HCID2734378

3-Pyridinylboronic acid

C5H6BNO2

HCID2735549

3-Bromo-4-chloronitrobenzene

C6H3BrClNO2

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

HCID22329539

3-(2-Chloro-5-nitrophenyl)pyridine

C11H7ClN2O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ffa2363e7bb14e23b1ce2dd7fd7891dc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([N+:9](=[O:10])[O-:11])[cH:5][cH:6][c:7]1[Cl:8].[C:26](=[O:27])([O-:28])[O-:29].[CH2:12]([OH:13])[CH2:14][CH2:15][OH:16].[CH3:32][CH2:33][OH:34].[CH3:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1.[Na+:30].[Na+:31].[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.[n:17]1[cH:18][c:19]([B:23]([OH:24])[OH:25])[cH:20][cH:21][cH:22]1>>[c:2]1(-[c:19]2[cH:18][n:17][cH:22][cH:21][cH:20]2)[cH:3][c:4]([N+:9](=[O:10])[O-:11])[cH:5][cH:6][c:7]1[Cl:8]