Potassium Cation → 5-{[2-Tert-butyl-4-(hydroxymethyl)-5-methylphenyl]sulfanyl}-2-cyclohexyl-6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-2,3-dihydro-4h-pyran-4-one

HRID 1212936Notes

Reaction equation

HRID 1212936 reaction equation
[C:24]([CH3:25])([CH3:26])([CH3:27])[c:28]1[c:29]([S:37][S:38]([c:39]2[cH:40][cH:41][c:42]([CH3:43])[cH:44][cH:45]2)(=[O:46])=[O:47])[cH:30][c:31]([CH3:36])[c:32]([CH2:34][OH:35])[cH:33]1.[CH:1]1([C:7]2([CH2:15][CH2:16][c:17]3[cH:18][cH:19][c:20]([OH:23])[cH:21][cH:22]3)[CH2:8][C:9]([OH:14])=[CH:10][C:11](=[O:13])[O:12]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[K+:48].[K+:49].[O-:50][C:51]([O-:52])=[O:53].[O:54]=[CH:55][N:56]([CH3:57])[CH3:58]>>[CH:1]1([C:7]2([CH2:15][CH2:16][c:17]3[cH:18][cH:19][c:20]([OH:23])[cH:21][cH:22]3)[CH2:8][C:9]([OH:14])=[C:10]([S:37][c:29]3[c:28]([C:24]([CH3:25])([CH3:26])[CH3:27])[cH:33][c:32]([CH2:34][OH:35])[c:31]([CH3:36])[cH:30]3)[C:11](=[O:13])[O:12]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 10499026S-[2-Tert-butyl-4-(hydroxymethyl)-5-methylphenyl] 4-methylbenzenesulfonothioateHCID 547203146-Cyclohexyl-4-hydroxy-6-[2-(4-hydroxy-phenyl)-ethyl]-5,6-dihydro-pyran-2-one

Product 1

HCID 546822675-{[2-Tert-butyl-4-(hydroxymethyl)-5-methylphenyl]sulfanyl}-2-cyclohexyl-6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-2,3-dihydro-4h-pyran-4-one

Sources & evidence

ORD record
ord-acf4f03b375846a091dcd701dcf7cc1d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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