Acetone → HCID 14853654, compound

HRID 681812Notes

Reaction equation

HRID 681812 reaction equation
[Br:26][CH:27]([C:28](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[CH3:35].[C:20](=[O:21])([O-:22])[O-:23].[CH3:36][C:37](=[O:38])[CH3:39].[Cl:1][c:2]1[cH:3][c:4]([F:19])[c:5](-[n:9]2[n:10][c:11]([CH:16]([F:17])[F:18])[n:12]([CH3:15])[c:13]2=[O:14])[cH:6][c:7]1[OH:8].[K+:24].[K+:25]>>[Cl:1][c:2]1[cH:3][c:4]([F:19])[c:5](-[n:9]2[n:10][c:11]([CH:16]([F:17])[F:18])[n:12]([CH3:15])[c:13]2=[O:14])[cH:6][c:7]1[O:8][CH:27]([C:28](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[CH3:35]

Participants

6

Reactant 5

HCID 180AcetoneHCID 813Potassium Cation2×HCID 19660Carbonate IonHCID 545327tert-Butyl 2-bromopropanoateHCID 148536531-(4-chloro-2-fluoro-5-hydroxyphenyl)-3-difluoromethyl-4,5-dihydro-4-methyl-1,2,4-triazol-5(1H)-one

Product 1

HCID 14853654HCID 14853654, compound

Sources & evidence

ORD record
ord-98d9c0e6915843ff9af5d14cda5f9346
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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