Dimethyl Sulfoxide → 5-[2-tert-butyl-4-(hydroxymethyl)-5-methyl-phenyl]sulfanyl-2-cyclopentyl-4-hydroxy-2-[2-(3-hydroxyphenyl)ethyl]-3H-pyran-6-one

HRID 1142652Notes

Reaction equation

HRID 1142652 reaction equation
[C:23]([CH3:24])([CH3:25])([CH3:26])[c:27]1[c:28]([S:36][S:37]([c:38]2[cH:39][cH:40][c:41]([CH3:42])[cH:43][cH:44]2)(=[O:45])=[O:46])[cH:29][c:30]([CH3:35])[c:31]([CH2:33][OH:34])[cH:32]1.[CH3:53][S:54]([CH3:55])=[O:56].[CH:1]1([C:6]2([CH2:14][CH2:15][c:16]3[cH:17][c:18]([OH:22])[cH:19][cH:20][cH:21]3)[CH2:7][C:8]([OH:13])=[CH:9][C:10](=[O:12])[O:11]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[K+:47].[K+:48].[O-:49][C:50]([O-:51])=[O:52].[O:57]=[CH:58][N:59]([CH3:60])[CH3:61]>>[CH:1]1([C:6]2([CH2:14][CH2:15][c:16]3[cH:17][c:18]([OH:22])[cH:19][cH:20][cH:21]3)[CH2:7][C:8]([OH:13])=[C:9]([S:36][c:28]3[c:27]([C:23]([CH3:24])([CH3:25])[CH3:26])[cH:32][c:31]([CH2:33][OH:34])[c:30]([CH3:35])[cH:29]3)[C:10](=[O:12])[O:11]2)[CH2:2][CH2:3][CH2:4][CH2:5]1

Participants

7

Reactant 6

HCID 679Dimethyl SulfoxideHCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 10499026S-[2-Tert-butyl-4-(hydroxymethyl)-5-methylphenyl] 4-methylbenzenesulfonothioateHCID 547203236-Cyclopentyl-4-hydroxy-6-[2-(3-hydroxy-phenyl)-ethyl]-5,6-dihydro-pyran-2-one

Product 1

HCID 547131835-[2-tert-butyl-4-(hydroxymethyl)-5-methyl-phenyl]sulfanyl-2-cyclopentyl-4-hydroxy-2-[2-(3-hydroxyphenyl)ethyl]-3H-pyran-6-one

Sources & evidence

ORD record
ord-7035d915285348a8ad784fc592a91f3c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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