Hydrochloric Acid → Pirenperone

HRID 1203612Notes

Reaction equation

HRID 1203612 reaction equation
[CH3:38][CH:39]([CH3:40])[CH2:41][C:42](=[O:43])[CH3:44].[Cl:1][CH2:2][CH2:3][c:4]1[c:5]([CH3:15])[n:6][c:7]2[n:8]([c:9]1=[O:10])[cH:11][cH:12][cH:13][cH:14]2.[ClH:16].[F:17][c:18]1[cH:19][cH:20][c:21]([C:24](=[O:25])[CH:26]2[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]2)[cH:22][cH:23]1.[Na+:32].[Na+:33].[O-:34][C:35](=[O:36])[O-:37]>>[CH2:2]([CH2:3][c:4]1[c:5]([CH3:15])[n:6][c:7]2[n:8]([c:9]1=[O:10])[cH:11][cH:12][cH:13][cH:14]2)[N:29]1[CH2:28][CH2:27][CH:26]([C:24]([c:21]2[cH:20][cH:19][c:18]([F:17])[cH:23][cH:22]2)=[O:25])[CH2:31][CH2:30]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 923Sodium ion2×HCID 7909Methyl Isobutyl KetoneHCID 19660Carbonate IonHCID 8178663-(2-Chloroethyl)-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-oneHCID 27244404-(4-Fluorobenzoyl)piperidine

Product 1

HCID 4847Pirenperone

Sources & evidence

ORD record
ord-380c8a3a159b41b0adbd566de6194eec
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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