HRID286260

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID28486

Lithium ion

Li+

HCID31275

1,4-Dioxane

C4H8O2

HCID2773371

2,5-Dichlorophenylboronic acid

C6H5BCl2O2

结构：Cc1ccc(S(=O)(=O)OCC2CCc3cccc(OS(=O)(=O)C(F)(F)F)c3O2)cc1

HCID86609096

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)OCC2CCc3cccc(-c4cc(Cl)ccc4Cl)c3O2)cc1

HCID178427668

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9abfe04b7e8140c58e463cc6f479181b
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

[C:42](=[O:43])([O-:44])[O-:45].[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]([O:23][S:24]([C:25]([F:26])([F:27])[F:28])(=[O:29])=[O:30])[cH:17][cH:18][cH:19][c:20]3[CH2:21][CH2:22]2)[cH:6][cH:7]1.[Cl-:49].[Cl:31][c:32]1[c:33]([B:39]([OH:40])[OH:41])[cH:34][c:35]([Cl:38])[cH:36][cH:37]1.[K+:46].[K+:47].[Li+:48].[O:50]1[CH2:51][CH2:52][O:53][CH2:54][CH2:55]1.[OH2:56].[cH:57]1[cH:58][cH:59][c:60]([P:61]([Pd:62]([P:63]([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)([P:82]([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)([c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[P:101]([c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)([c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)[c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)([c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)[c:126]2[cH:127][cH:128][cH:129][cH:130][cH:131]2)[cH:132][cH:133]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](-[c:33]4[c:32]([Cl:31])[cH:37][cH:36][c:35]([Cl:38])[cH:34]4)[cH:17][cH:18][cH:19][c:20]3[CH2:21][CH2:22]2)[cH:6][cH:7]1