Water → tert-Butyl 4-(2-chloro-4-methylphenylcarbamoyl)-3-[4-cyclopropyl-5-(3-isobutylcyclobutyl)isoxazol-3-yl]butanoate

HRID 148462

Reaction equation

HRID 148462 reaction equation
[CH:1]1([c:4]2[c:5]([CH:17]([CH2:18][C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[CH2:26][C:27](=[O:28])[O-:29])[n:6][o:7][c:8]2[CH:9]2[CH2:10][CH:11]([CH2:13][CH:14]([CH3:15])[CH3:16])[CH2:12]2)[CH2:2][CH2:3]1.[Cl:35][c:36]1[c:37]([NH2:43])[cH:38][cH:39][c:40]([CH3:42])[cH:41]1.[O:30]=[CH:31][N:32]([CH3:33])[CH3:34].[OH2:54].[OH2:55].[OH:44][n:45]1[c:46]2[c:47]([cH:48][cH:49][cH:50][cH:51]2)[n:52][n:53]1>>[CH:1]1([c:4]2[c:5]([CH:17]([CH2:18][C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[CH2:26][C:27](=[O:29])[NH:43][c:37]3[c:36]([Cl:35])[cH:41][c:40]([CH3:42])[cH:39][cH:38]3)[n:6][o:7][c:8]2[CH:9]2[CH2:10][CH:11]([CH2:13][CH:14]([CH3:15])[CH3:16])[CH2:12]2)[CH2:2][CH2:3]1

Participants

6

Reactant 5

HCID 962Water2×HCID 6228DimethylformamideHCID 120072-Chloro-p-toluidineHCID 757711-HydroxybenzotriazoleHCID 86675036Mono-tert-butyl 3-[4-cyclopropyl-5-(3-isobutylcyclobutyl)isoxazol-3-yl]glutarate

Product 1

HCID 71134796tert-Butyl 4-(2-chloro-4-methylphenylcarbamoyl)-3-[4-cyclopropyl-5-(3-isobutylcyclobutyl)isoxazol-3-yl]butanoate

Sources & evidence

ORD record
ord-4bcfd09c729f4fe1a2e2bc6617a5e0d3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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