Trifluoroacetic acid → 1-(4-(5-(3-(Pyridin-2-yl)-4-(trifluoromethyl)isoxazol-5-yl)-1,2,4-oxadiazol-3-yl)benzyl)azetidine-3-carboxylic acid

Reaction equation

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

Participants

Reactant 2

HCID 6422Trifluoroacetic acid

HCID 58062837Tert-butyl 1-(4-(5-(3-(pyridin-2-yl)-4-(trifluoromethyl)isoxazol-5-yl)-1,2,4-oxadiazol-3-yl)benzyl)azetidine-3-carboxylate

Product 1

HCID 468359141-(4-(5-(3-(Pyridin-2-yl)-4-(trifluoromethyl)isoxazol-5-yl)-1,2,4-oxadiazol-3-yl)benzyl)azetidine-3-carboxylic acid

Sources & evidence

ORD record: ord-07cc6c414fa84157971bf0ded285f5e1
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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