HRID2340649

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID4157211

2-Fluoro-5-methoxyphenylboronic acid

C7H8BFO3

结构：COC(=O)c1ccc(OS(=O)(=O)C(F)(F)F)c(C(=O)OC)c1

HCID12017546

4-[[(Trifluoromethyl)sulfonyl]oxy]-1,3-benzenedicarboxylic acid dimethyl ester

C11H9F3O7S

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：COC(=O)c1ccc(-c2cc(OC)ccc2F)c(C(=O)OC)c1

HCID57706522

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e6a6042853804429bdeeecbc7c9e3c51
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:40](=[O:41])([O-:42])[O-:43].[F:1][C:2]([F:3])([F:4])[S:5]([O:6][c:7]1[c:8]([C:17](=[O:18])[O:19][CH3:20])[cH:9][c:10]([C:11](=[O:12])[O:13][CH3:14])[cH:15][cH:16]1)(=[O:21])=[O:22].[F:28][c:29]1[c:30]([B:37]([OH:38])[OH:39])[cH:31][c:32]([O:35][CH3:36])[cH:33][cH:34]1.[K+:44].[K+:45].[O:23]=[CH:24][N:25]([CH3:26])[CH3:27].[OH2:123].[cH:46]1[cH:47][cH:48][c:49]([P:50]([Pd:51]([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)[P:90]([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)([c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)[c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)([c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)[c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)[cH:121][cH:122]1>>[c:7]1(-[c:30]2[c:29]([F:28])[cH:34][cH:33][c:32]([O:35][CH3:36])[cH:31]2)[c:8]([C:17](=[O:18])[O:19][CH3:20])[cH:9][c:10]([C:11](=[O:12])[O:13][CH3:14])[cH:15][cH:16]1