HRID320089

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID28179

Fluoride

F-

HCID2773472

4-Isobutylphenylboronic acid

C10H15BO2

结构：O=[N+]([O-])c1ccc(OS(=O)(=O)c2cccnc2Cl)cc1

HCID21186255

未命名化合物

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

结构：CC(C)Cc1ccc(-c2ncccc2S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2)cc1

HCID21186228

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e526b809bc6e4251905f8fcfbcca160f
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

[CH2:21]([CH:22]([CH3:23])[CH3:24])[c:25]1[cH:26][cH:27][c:28]([B:31]([OH:32])[OH:33])[cH:29][cH:30]1.[CH3:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[Cl:1][c:2]1[n:3][cH:4][cH:5][cH:6][c:7]1[S:8](=[O:9])(=[O:10])[O:11][c:12]1[cH:13][cH:14][c:15]([N+:18](=[O:19])[O-:20])[cH:16][cH:17]1.[F-:34].[K+:35].[OH2:120].[cH:43]1[cH:44][cH:45][c:46]([P:47]([Pd:48]([P:49]([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)([P:68]([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[P:87]([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)([c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)[cH:118][cH:119]1>>[c:2]1(-[c:28]2[cH:27][cH:26][c:25]([CH2:21][CH:22]([CH3:23])[CH3:24])[cH:30][cH:29]2)[n:3][cH:4][cH:5][cH:6][c:7]1[S:8](=[O:9])(=[O:10])[O:11][c:12]1[cH:13][cH:14][c:15]([N+:18](=[O:19])[O-:20])[cH:16][cH:17]1