HRID1143511

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8071

未命名化合物

HCID136690

4'-Bromo-2'-nitroacetanilide

C8H7BrN2O3

HCID2734358

Furan-3-boronic acid

C4H5BO3

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：CC(=O)Nc1ccc(-c2ccoc2)cc1[N+](=O)[O-]

HCID54094756

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-19411f54b22643999706621af51ef21b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[c:6]([N+:12](=[O:13])[O-:14])[cH:7][c:8]([Br:11])[cH:9][cH:10]1.[C:23](=[O:24])([OH:25])[O-:26].[CH2:29]([CH2:30][O:31][CH3:32])[O:33][CH3:34].[Na+:27].[OH2:28].[cH:35]1[cH:36][cH:37][c:38]([P:39]([Pd:40]([P:41]([c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)([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)([P:60]([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)([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)[P:79]([c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)([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)[cH:110][cH:111]1.[o:15]1[cH:16][c:17]([B:20]([OH:21])[OH:22])[cH:18][cH:19]1>>[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[c:6]([N+:12](=[O:13])[O-:14])[cH:7][c:8](-[c:17]2[cH:16][o:15][cH:19][cH:18]2)[cH:9][cH:10]1