Hydrochloric Acid → {3-(3-Ethoxy-1,2,4-oxadiazol-5-yl)-5-[3-fluoro-4-(trifluoromethoxy)phenyl]piperidin-1-yl}(3-hydroxyazetidin-1-yl)methanone

HRID 677917Notes

Reaction equation

HRID 677917 reaction equation
[C:45](=[O:46])([O-:47])[O-:48].[CH2:1]([CH3:2])[O:3][c:4]1[n:5][o:6][c:7]([CH:9]2[CH2:10][N:11]([C:27]([O:29][c:28]3[cH:30][cH:31][c:32]([N+:33]([O-:34])=[O:35])[cH:36][cH:37]3)=[O:38])[CH2:12][CH:13]([c:15]3[cH:16][c:17]([F:26])[c:18]([O:21][C:22]([F:23])([F:24])[F:25])[cH:19][cH:20]3)[CH2:14]2)[n:8]1.[ClH:39].[K+:49].[K+:50].[O:51]=[CH:52][N:53]([CH3:54])[CH3:55].[OH:40][CH:41]1[CH2:42][NH:43][CH2:44]1>>[CH2:1]([CH3:2])[O:3][c:4]1[n:5][o:6][c:7]([CH:9]2[CH2:10][N:11]([C:27](=[O:29])[N:43]3[CH2:42][CH:41]([OH:40])[CH2:44]3)[CH2:12][CH:13]([c:15]3[cH:16][c:17]([F:26])[c:18]([O:21][C:22]([F:23])([F:24])[F:25])[cH:19][cH:20]3)[CH2:14]2)[n:8]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 15142903-HydroxyazetidineHCID 581165474-Nitrophenyl 3-(3-ethoxy-1,2,4-oxadiazol-5-yl)-5-[3-fluoro-4-(trifluoromethoxy)phenyl]-piperidine-1-carboxylate

Product 1

HCID 58116512{3-(3-Ethoxy-1,2,4-oxadiazol-5-yl)-5-[3-fluoro-4-(trifluoromethoxy)phenyl]piperidin-1-yl}(3-hydroxyazetidin-1-yl)methanone

Sources & evidence

ORD record
ord-f67b2916477641cfa4a1793272bd5fca
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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