Acetone → Hydantoin, 3-(4-chloro-alpha,alpha,alpha-trifluoro-m-tolyl)-5,5-diethyl-

HRID 1134496Notes

Reaction equation

HRID 1134496 reaction equation
[CH3:15][O:16][C:17](=[O:18])[C:19]([NH2:20])([CH2:21][CH3:22])[CH2:23][CH3:24].[CH3:25][O:26][C:27]([C:28]([CH2:29][CH3:30])([CH2:31][CH3:32])[NH:33][C:34]([NH:35][c:36]1[cH:37][c:38]([C:43]([F:44])([F:45])[F:46])[c:39]([Cl:42])[cH:40][cH:41]1)=[O:47])=[O:48].[CH3:49][C:50](=[O:51])[CH3:52].[Cl:1][c:2]1[cH:3][cH:4][c:5]([N:6]=[C:7]=[O:8])[cH:9][c:10]1[C:11]([F:12])([F:13])[F:14].[ClH:53]>>[O:26]=[C:27]1[C:28]([CH2:29][CH3:30])([CH2:31][CH3:32])[NH:33][C:34](=[O:47])[N:35]1[c:36]1[cH:37][c:38]([C:43]([F:44])([F:45])[F:46])[c:39]([Cl:42])[cH:40][cH:41]1

Participants

6

Reactant 5

HCID 180AcetoneHCID 313Hydrochloric AcidHCID 27332651-Chloro-4-isocyanato-2-(trifluoromethyl) benzeneHCID 13412527Methyl 2-amino-2-ethylbutanoateHCID 134125292-(N-[(4-chloro-3-trifluoromethylphenyl)-carbamoyl]-amino)-2-ethylbutyric acid methyl ester

Product 1

HCID 3054229Hydantoin, 3-(4-chloro-alpha,alpha,alpha-trifluoro-m-tolyl)-5,5-diethyl-

Sources & evidence

ORD record
ord-5a94024cb497495eba0966a242264c02
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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