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Acetic Acid → 4-(2-Chloro-4-methylphenylcarbamoyl)-3-{4-cyclopropyl-5-[3-(2-ethylbutyl)cyclobutyl]isoxazol-3-yl}butanoic acid

HRID 1561981
Notes
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Reaction equation

HRID 1561981 reaction equation
[BrH:41].[CH3:44][C:45](=[O:46])[OH:47].[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]([CH2:36][CH3:37])[CH2:38][CH3:39])[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+:43].[OH-:42].[OH2:40]>>[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]([CH2:36][CH3:37])[CH2:38][CH3:39])[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
ParticipantsSources & evidenceReaction notes

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 260Hydrogen BromideHCID 923Sodium IonHCID 961HydroxideHCID 962WaterHCID 86675054tert-Butyl 4-(2-chloro-4-methylphenylcarbamoyl)-3-{4-cyclopropyl-5-[3-(2-ethylbutyl)cyclobutyl]isoxazol-3-yl}butanoate

Product 1

HCID 71114695
4-(2-Chloro-4-methylphenylcarbamoyl)-3-{4-cyclopropyl-5-[3-(2-ethylbutyl)cyclobutyl]isoxazol-3-yl}butanoic acid

Sources & evidence

ORD record
ord-a1c300814a9b4554b06bc32ff8c8d701
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes