Acetate → 4-(2-Chloro-4-methylphenylcarbamoyl)-3-[4-cyclopropyl-5-(3-isobutylcyclobutyl)isoxazol-3-yl]butanoic acid
Reaction equation
[BrH:39].[CH3:41][C:42](=[O:43])[O-:44].[CH3:45][C:46](=[O:47])[OH:48].[Cl:1][c:2]1[c:3]([NH:9][C:10](=[O:11])[CH2:12][CH:13]([CH2:14][C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[c:22]2[n:23][o:24][c:25]([CH:30]3[CH2:31][CH:32]([CH2:34][CH:35]([CH3:36])[CH3:37])[CH2:33]3)[c:26]2[CH:27]2[CH2:28][CH2:29]2)[cH:4][cH:5][c:6]([CH3:8])[cH:7]1.[Na+:40].[OH2:38]>>[Cl:1][c:2]1[c:3]([NH:9][C:10](=[O:11])[CH2:12][CH:13]([CH2:14][C:15](=[O:16])[OH:17])[c:22]2[n:23][o:24][c:25]([CH:30]3[CH2:31][CH:32]([CH2:34][CH:35]([CH3:36])[CH3:37])[CH2:33]3)[c:26]2[CH:27]2[CH2:28][CH2:29]2)[cH:4][cH:5][c:6]([CH3:8])[cH:7]1Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-f27def355fde45cba0bd72e8d4408eb4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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