Hydrochloric Acid → 3-[2-[4-[[4-butyl-1-(3,3-dimethyl-2-propan-2-yloxyiminobutyl)-2-methyl-6-oxopyrimidin-5-yl]methyl]-3-fluorophenyl]phenyl]-4H-1,2,4-oxadiazol-5-one

HRID 205387Notes

Reaction equation

HRID 205387 reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[c:6]([CH2:20][c:21]2[c:22]([F:39])[cH:23][c:24](-[c:27]3[c:28](-[c:33]4[n:34][o:35][c:36](=[O:38])[nH:37]4)[cH:29][cH:30][cH:31][cH:32]3)[cH:25][cH:26]2)[c:7](=[O:19])[n:8]([CH2:12][C:13]([C:14]([CH3:15])([CH3:16])[CH3:17])=[O:18])[c:9]([CH3:11])[n:10]1.[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[ClH:40].[NH2:41][O:42][CH:43]([CH3:44])[CH3:45].[cH:46]1[cH:47][cH:48][n:49][cH:50][cH:51]1>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[c:6]([CH2:20][c:21]2[c:22]([F:39])[cH:23][c:24](-[c:27]3[c:28](-[c:33]4[n:34][o:35][c:36](=[O:38])[nH:37]4)[cH:29][cH:30][cH:31][cH:32]3)[cH:25][cH:26]2)[c:7](=[O:19])[n:8]([CH2:12][C:13]([C:14]([CH3:15])([CH3:16])[CH3:17])=[N:41][O:42][CH:43]([CH3:44])[CH3:45])[c:9]([CH3:11])[n:10]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 1049PyridineHCID 8857Ethyl AcetateHCID 2768923Hydroxylamine, O-(1-methylethyl)-HCID 1360269906-butyl-3-(3,3-dimethyl-2-oxobutyl)-5-{[3-fluoro-2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl}-2-methylpyrimidin-4(3H)-one

Product 1

HCID 1366532433-[2-[4-[[4-butyl-1-(3,3-dimethyl-2-propan-2-yloxyiminobutyl)-2-methyl-6-oxopyrimidin-5-yl]methyl]-3-fluorophenyl]phenyl]-4H-1,2,4-oxadiazol-5-one

Sources & evidence

ORD record
ord-62f7e12927604ae097f1e1fded40c784
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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