Trifluoroacetic acid → Trifluoroacetic acid

HRID 92547Notes

Reaction equation

HRID 92547 reaction equation
[F:43][C:44]([C:45](=[O:46])[OH:47])([F:48])[F:49].[c:1]1(-[c:7]2[n:8][o:9][c:10](-[c:20]3[n:21][c:22](-[c:25]4[cH:26][cH:27][c:28]([CH2:29][N:30]5[CH2:31][CH:32]([C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])[CH2:33]5)[cH:41][cH:42]4)[n:23][o:24]3)[c:11]2[C:12]([NH:13][CH2:14][C:15]([F:16])([F:17])[F:18])=[O:19])[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[F:43][C:44]([C:45](=[O:46])[OH:47])([F:48])[F:49].[c:1]1(-[c:7]2[n:8][o:9][c:10](-[c:20]3[n:21][c:22](-[c:25]4[cH:26][cH:27][c:28]([CH2:29][N:30]5[CH2:31][CH:32]([C:34](=[O:35])[OH:36])[CH2:33]5)[cH:41][cH:42]4)[n:23][o:24]3)[c:11]2[C:12]([NH:13][CH2:14][C:15]([F:16])([F:17])[F:18])=[O:19])[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

4

Reactant 2

HCID 6422Trifluoroacetic acidHCID 67458998Tert-butyl 1-(4-(5-(3-phenyl-4-(2,2,2-trifluoroethylcarbamoyl)isoxazol-5-yl)-1,2,4-oxadiazol-3-yl)benzyl)azetidine-3-carboxylate

Product 2

HCID 6422Trifluoroacetic acidHCID 468469101-[[4-[5-[3-Phenyl-4-(2,2,2-trifluoroethylcarbamoyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid

Sources & evidence

ORD record
ord-812e86850c684616a087cd292334f8fb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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