HRID315919

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID8028

Tetrahydrofuran

C4H8O

结构：O=[N+]([O-])c1ccc(Br)c([N+](=O)[O-])c1

HCID11441

Benzene, 1-bromo-2,4-dinitro-

C6H3BrN2O4

HCID23938

Palladium

2 次

HCID28179

Fluoride

F-

HCID83681

Tris(1,1-dimethylethyl)phosphine

C12H27P

HCID95417

1,5-Diphenyl-1,4-pentadien-3-one

C17H14O

3 次

HCID2734902

2-Ethoxyphenylboronic acid

C8H11BO3

PRODUCTS

生成物

结构：CCOc1ccccc1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

HCID57482699

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3670c05b14754eabbce98d1af7e3380b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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