HRID2130351

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

2 次

HCID8857

Ethyl acetate

C4H8O2

HCID12064

Benzene, 1,3-dichloro-5-nitro-

C6H3Cl2NO2

HCID23938

Palladium

2 次

HCID31275

1,4-Dioxane

C4H8O2

HCID95417

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

C17H14O

3 次

结构：CC(C)C1=CC(C(C)C)=C(c2ccccc2)C(C(C)C)(P(C(C)(C)C)C(C)(C)C)C1

HCID66849835

未命名化合物

PRODUCTS

生成物

HCID10675815

3-chloro-5-nitrophenol

C6H4ClNO3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8e55b5324837439e904e7d62ad475015
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:14]([P:15]([C:16]([CH3:17])([CH3:18])[CH3:19])[C:20]1([CH:21]([CH3:22])[CH3:23])[CH2:24][C:25]([CH:26]([CH3:27])[CH3:28])=[CH:29][C:30]([CH:31]([CH3:32])[CH3:33])=[C:34]1[c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1)([CH3:41])([CH3:42])[CH3:43].[C:45]([O:46][CH2:47][CH3:48])(=[O:49])[CH3:50].[Cl:1][c:2]1[cH:3][c:4]([Cl:11])[cH:5][c:6]([N+:8](=[O:9])[O-:10])[cH:7]1.[ClH:44].[K+:13].[O:109]1[CH2:110][CH2:111][O:112][CH2:113][CH2:114]1.[O:54]=[C:55]([CH:56]=[CH:57][c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1)[CH:64]=[CH:65][c:66]1[cH:67][cH:68][cH:69][cH:70][cH:71]1.[O:72]=[C:73]([CH:74]=[CH:75][c:76]1[cH:77][cH:78][cH:79][cH:80][cH:81]1)[CH:82]=[CH:83][c:84]1[cH:85][cH:86][cH:87][cH:88][cH:89]1.[O:90]=[C:91]([CH:92]=[CH:93][c:94]1[cH:95][cH:96][cH:97][cH:98][cH:99]1)[CH:100]=[CH:101][c:102]1[cH:103][cH:104][cH:105][cH:106][cH:107]1.[OH-:12].[OH2:108].[OH2:51].[Pd:52].[Pd:53]>>[Cl:1][c:2]1[cH:3][c:4]([OH:12])[cH:5][c:6]([N+:8](=[O:9])[O-:10])[cH:7]1