Potassium Cation → 4-Fluoro-2-(2-oxooxazolidin-3-yl)benzonitrile

HRID 205002Notes

Reaction equation

HRID 205002 reaction equation
[Br:1][c:2]1[c:3]([C:4]#[N:5])[cH:6][cH:7][c:8]([F:10])[cH:9]1.[K+:17].[K+:18].[O-:19][C:20]([O-:21])=[O:22].[O:11]1[C:12](=[O:16])[NH:13][CH2:14][CH2:15]1.[O:23]1[CH2:24][CH2:25][O:26][CH2:27][CH2:28]1.[O:31]=[C:32]([CH:33]=[CH:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1)[CH:41]=[CH:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[O:49]=[C:50]([CH:51]=[CH:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1)[CH:59]=[CH:60][c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1.[O:67]=[C:68]([CH:69]=[CH:70][c:71]1[cH:72][cH:73][cH:74][cH:75][cH:76]1)[CH:77]=[CH:78][c:79]1[cH:80][cH:81][cH:82][cH:83][cH:84]1.[Pd:29].[Pd:30]>>[c:2]1([N:13]2[C:12](=[O:16])[O:11][CH2:15][CH2:14]2)[c:3]([C:4]#[N:5])[cH:6][cH:7][c:8]([F:10])[cH:9]1

Participants

8

Reactant 7

HCID 813Potassium Cation2×HCID 19660Carbonate IonHCID 23938Palladium2×HCID 312751,4-DioxaneHCID 739492-OxazolidinoneHCID 95417Dibenzylidene acetone3×HCID 1189392-Bromo-4-fluorobenzonitrile

Product 1

HCID 210698944-Fluoro-2-(2-oxooxazolidin-3-yl)benzonitrile

Sources & evidence

ORD record
ord-3dbf8bc0d7e84bdaab8bc1acae316889
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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