HRID1539626

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID6945

1-Chloro-2-nitrobenzene

C6H4ClNO2

HCID7732

4-Methoxybenzenamine

C7H9NO

HCID8071

未命名化合物

HCID8182

Dodecane

C12H26

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

PRODUCTS

生成物

HCID618504

N-(4-Methoxyphenyl)-2-nitroaniline

C13H12N2O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e326dfa673c9484dab5031ea201738ae
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:19][O:20][c:21]1[cH:22][cH:23][c:24]([NH2:27])[cH:25][cH:26]1.[CH3:28][O:29][CH2:30][CH2:31][O:32][CH3:33].[CH3:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH3:45].[K+:6].[K+:7].[K+:8].[N+:9](=[O:10])([O-:11])[c:12]1[c:13]([Cl:18])[cH:14][cH:15][cH:16][cH:17]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.[P:1]([O-:2])([O-:3])([O-:4])=[O:5].[Pd:46].[Pd:47]>>[N+:9](=[O:10])([O-:11])[c:12]1[c:13]([NH:27][c:24]2[cH:23][cH:22][c:21]([O:20][CH3:19])[cH:26][cH:25]2)[cH:14][cH:15][cH:16][cH:17]1