HRID692889

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2734342

2,5-Dimethoxyphenylboronic acid

C8H11BO4

结构：COC(=O)c1cc([N+](=O)[O-])ccc1-c1cc(F)ccc1OC

HCID10733357

未命名化合物

HCID21190843

Ethyl 2-bromo-5-nitrobenzoate

C9H8BrNO4

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：COC(=O)c1cc([N+](=O)[O-])ccc1-c1cc(OC)ccc1OC

HCID10805422

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-31cc9d9a46e54df8b65384d684d7096e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Br:23][c:24]1[cH:25][cH:28][c:29]([N+:30]([O-:31])=[O:32])[cH:33][c:34]1[C:26](=[O:27])[O:35][CH2:36][CH3:37].[CH3:38][O:39][c:40]1[cH:41][cH:42][c:43]([O:44][CH3:45])[cH:46][c:47]1[B:48]([OH:49])[OH:50].[F:1][c:2]1[cH:3][cH:4][c:5]([O:21][CH3:22])[c:6](-[c:8]2[c:9]([C:17](=[O:18])[O:19][CH3:20])[cH:10][c:11]([N+:14](=[O:15])[O-:16])[cH:12][cH:13]2)[cH:7]1.[cH:51]1[cH:52][cH:53][c:54]([P:55]([Pd:56]([P:57]([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)([P:76]([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[P:95]([c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)([c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)[c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)([c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)[c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)[cH:126][cH:127]1>>[c:2]1([O:27][CH3:26])[cH:3][cH:4][c:5]([O:21][CH3:22])[c:6](-[c:8]2[c:9]([C:17](=[O:18])[O:19][CH3:20])[cH:10][c:11]([N+:14](=[O:15])[O-:16])[cH:12][cH:13]2)[cH:7]1