HRID153146

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID1140

Toluene

C7H8

HCID2760897

Cyclopropylboronic acid

C3H7BO2

HCID21335487

5-Bromo-1,3-difluoro-2-nitrobenzene

C6H2BrF2NO2

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

HCID59683254

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4c0e05d566e04619a7f855a7961a0ca4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([F:12])[c:5]([N+:9](=[O:10])[O-:11])[c:6]([F:8])[cH:7]1.[CH3:104][c:105]1[cH:106][cH:107][cH:108][cH:109][cH:110]1.[CH:13]1([B:16]([OH:17])[OH:18])[CH2:14][CH2:15]1.[K+:24].[K+:25].[K+:26].[P:19]([O-:20])([O-:21])([O-:22])=[O:23].[cH:27]1[cH:28][cH:29][c:30]([P:31]([Pd:32]([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)[c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)([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)[c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[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)[c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)([c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)[cH:102][cH:103]1>>[c:2]1([CH:13]2[CH2:14][CH2:15]2)[cH:3][c:4]([F:12])[c:5]([N+:9](=[O:10])[O-:11])[c:6]([F:8])[cH:7]1