HRID291780

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID11466

1-Bromo-4-nitrobenzene

C6H4BrNO2

HCID178420554

未命名化合物

HCID178476833

未命名化合物

PRODUCTS

产物

HCID284865

diethyl(4-nitrophenyl)phosphonate

C10H14NO5P

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-fae065dc89464bc4a7e4f47d6eb784a2
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

[Br:9][c:10]1[cH:11][cH:12][c:13]([N+:16](=[O:17])[O-:18])[cH:14][cH:15]1.[CH3:19][c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1.[PH:1]([O:2][CH2:3][CH3:4])([O:5][CH2:6][CH3:7])=[O:8].[cH:26]1[cH:27][cH:28][c:29]([P:30]([Pd:31]([P:32]([c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)([P:51]([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)([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)[P:70]([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)([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)[c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[cH:101][cH:102]1>>[P:1]([O:2][CH2:3][CH3:4])([O:5][CH2:6][CH3:7])(=[O:8])[c:10]1[cH:11][cH:12][c:13]([N+:16](=[O:17])[O-:18])[cH:14][cH:15]1