Acetone → HCID 21437939, compound

HRID 165190Notes

Reaction equation

HRID 165190 reaction equation
[C:22]([O:23][CH2:24][CH3:25])(=[O:26])[CH3:27].[C:41]([O:42][CH2:43][CH3:44])(=[O:45])[CH3:46].[CH2:28]1[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33]1.[CH3:47][C:48]([CH3:49])=[O:50].[F:1][c:2]1[c:3](-[c:9]2[cH:10][cH:11][c:12]([C:15]([CH2:16][CH2:17][C:18](=[O:19])[OH:20])=[O:21])[cH:13][cH:14]2)[cH:4][cH:5][c:6]([F:8])[cH:7]1.[NH2:34][CH:35]1[CH2:36][CH2:37][CH2:38][CH2:39][CH2:40]1>>[F:1][c:2]1[c:3](-[c:9]2[cH:10][cH:11][c:12]([CH:15]([CH2:16][CH2:17][C:18](=[O:19])[OH:20])[OH:21])[cH:13][cH:14]2)[cH:4][cH:5][c:6]([F:8])[cH:7]1

Participants

6

Reactant 5

HCID 180AcetoneHCID 7965CyclohexylamineHCID 8078CyclohexaneHCID 8857Ethyl Acetate2×HCID 217676(1,1'-Biphenyl)-4-butanoic acid, 2',4'-difluoro-gamma-oxo-

Product 1

HCID 21437939HCID 21437939, compound

Sources & evidence

ORD record
ord-92546310b16648dc9ad5e2fcd5e73dc2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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