HRID1113095

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID1140

Toluene

C7H8

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

HCID2736328

4-Bromo-1-fluoro-2-nitrobenzene

C6H3BrFNO2

HCID2760897

Cyclopropylboronic acid

C3H7BO2

PRODUCTS

生成物

HCID56968573

4-Cyclopropyl-1-fluoro-2-nitrobenzene

C9H8FNO2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e46c99b210194b5585d12f99bbf5bf5a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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