HRID1554642

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID2734331

3,5-Dichlorophenylboronic acid

C6H5BCl2O2

结构：Cc1ccc(S(=O)(=O)OCC2Cc3cccc(OS(=O)(=O)C(F)(F)F)c3O2)cc1

HCID86599077

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：Cc1ccc(S(=O)(=O)OCC2Cc3cccc(-c4cc(Cl)cc(Cl)c4)c3O2)cc1

HCID86599082

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f34230131f304847a83ff805549ec000
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

[CH3:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[O:11][CH2:12][CH:13]2[O:14][c:15]3[c:16]([cH:18][cH:19][cH:20][c:21]3[O:22][S:23]([C:24]([F:25])([F:26])[F:27])(=[O:28])=[O:29])[CH2:17]2)[cH:6][cH:7]1.[Cl:30][c:31]1[cH:32][c:33]([B:38]([OH:39])[OH:40])[cH:34][c:35]([Cl:37])[cH:36]1.[K+:46].[K+:47].[K+:48].[P:41]([O-:42])([O-:43])([O-:44])=[O:45].[cH:49]1[cH:50][cH:51][c:52]([P:53]([Pd:54]([P:55]([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)[c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)([P:74]([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)[c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[P:93]([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)[c:118]2[cH:119][cH:120][cH:121][cH:122][cH:123]2)[cH:124][cH:125]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[O:11][CH2:12][CH:13]2[O:14][c:15]3[c:16]([cH:18][cH:19][cH:20][c:21]3-[c:33]3[cH:32][c:31]([Cl:30])[cH:36][c:35]([Cl:37])[cH:34]3)[CH2:17]2)[cH:6][cH:7]1