Potassium Cation → 5-[2-tert-butyl-4-(hydroxymethyl)-5-methyl-phenyl]sulfanyl-4-hydroxy-2-isopropyl-2-[2-(2-pyridyl)ethyl]-3H-pyran-6-one

HRID 136005Notes

Reaction equation

HRID 136005 reaction equation
[C:20]([CH3:21])([CH3:22])([CH3:23])[c:24]1[c:25]([S:33][S:34]([c:35]2[cH:36][cH:37][c:38]([CH3:39])[cH:40][cH:41]2)(=[O:42])=[O:43])[cH:26][c:27]([CH3:32])[c:28]([CH2:30][OH:31])[cH:29]1.[C:44](=[O:45])([O-:46])[O-:47].[CH3:50][CH2:51][O:52][CH2:53][CH3:54].[K+:48].[K+:49].[O:55]=[CH:56][N:57]([CH3:58])[CH3:59].[OH:1][C:2]1=[CH:3][C:4](=[O:19])[O:5][C:6]([CH2:8][CH2:9][c:10]2[n:11][cH:12][cH:13][cH:14][cH:15]2)([CH:16]([CH3:17])[CH3:18])[CH2:7]1>>[OH:1][C:2]1=[C:3]([S:33][c:25]2[c:24]([C:20]([CH3:21])([CH3:22])[CH3:23])[cH:29][c:28]([CH2:30][OH:31])[c:27]([CH3:32])[cH:26]2)[C:4](=[O:19])[O:5][C:6]([CH2:8][CH2:9][c:10]2[n:11][cH:12][cH:13][cH:14][cH:15]2)([CH:16]([CH3:17])[CH3:18])[CH2:7]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 3283Diethyl EtherHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 10499026S-[2-Tert-butyl-4-(hydroxymethyl)-5-methylphenyl] 4-methylbenzenesulfonothioateHCID 546770224-Hydroxy-6-isopropyl-6-(2-pyridin-2-yl-ethyl)-5,6-dihydro-pyran-2-one

Product 1

HCID 546884965-[2-tert-butyl-4-(hydroxymethyl)-5-methyl-phenyl]sulfanyl-4-hydroxy-2-isopropyl-2-[2-(2-pyridyl)ethyl]-3H-pyran-6-one

Sources & evidence

ORD record
ord-340e9f8cee32492eadcdd25a46a8200e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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