HRID114215

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID591073

4-Formylphenylboronic acid

C7H7BO3

HCID22505713

1-Bromo-2-methoxy-3-nitrobenzene

C7H6BrNO3

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

结构：COc1c(-c2ccc(C=O)cc2)cccc1[N+](=O)[O-]

HCID57483828

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a5685d54b2d64e499233800e830a907b
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:18][c:19]1[c:20]([O:28][CH3:29])[c:21]([N+:25](=[O:26])[O-:27])[cH:22][cH:23][cH:24]1.[CH2:1]1[O:2][CH2:3][CH2:4][O:5][CH2:6]1.[CH:7](=[O:8])[c:9]1[cH:10][cH:11][c:12]([B:15]([OH:16])[OH:17])[cH:13][cH:14]1.[Na+:30].[Na+: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>>[CH:7](=[O:8])[c:9]1[cH:10][cH:11][c:12](-[c:19]2[c:20]([O:28][CH3:29])[c:21]([N+:25](=[O:26])[O-:27])[cH:22][cH:23][cH:24]2)[cH:13][cH:14]1