HRID209230

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(C)(C)C)c1

HCID57467613

Benzoic acid, 3-(1,1-dimethylethyl)-4-[[(trifluoromethyl)sulfonyl]oxy]-, methyl ester

C13H15F3O5S

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(C)(C)C)c1

HCID57705886

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c4d27e7310d040f695e5844df9596dd5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([C:8](=[O:9])[O:10][CH3:11])[cH:12][cH:13][c:14]1[O:15][S:16]([C:17]([F:18])([F:19])[F:20])(=[O:21])=[O:22].[C:40](=[O:41])([O-:42])[O-:43].[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].[OH2:46].[cH:47]1[cH:48][cH:49][c:50]([P:51]([Pd:52]([P:53]([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)([P:72]([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[P:91]([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)([c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)[c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[cH:122][cH:123]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([C:8](=[O:9])[O:10][CH3:11])[cH:12][cH:13][c:14]1-[c:30]1[c:29]([F:28])[cH:34][cH:33][c:32]([O:35][CH3:36])[cH:31]1