HRID1201723

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

HCID2734322

2-Chlorophenylboronic acid

C6H6BClO2

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(-c4ccccc4Cl)c3O2)cc1

HCID86609095

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1523b411b5bc49c78347d503622450b3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:41](=[O:42])([O-:43])[O-:44].[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-:48].[Cl:31][c:32]1[c:33]([B:38]([OH:39])[OH:40])[cH:34][cH:35][cH:36][cH:37]1.[K+:45].[K+:46].[Li+:47].[O:49]1[CH2:50][CH2:51][O:52][CH2:53][CH2:54]1.[OH2:55].[cH:56]1[cH:57][cH:58][c:59]([P:60]([Pd:61]([P:62]([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)([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)([P:81]([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)([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)[P:100]([c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)([c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)[c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)([c:119]2[cH:120][cH:121][cH:122][cH:123][cH:124]2)[c:125]2[cH:126][cH:127][cH:128][cH:129][cH:130]2)[cH:131][cH:132]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][cH:35][cH:34]4)[cH:17][cH:18][cH:19][c:20]3[CH2:21][CH2:22]2)[cH:6][cH:7]1