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

HRID 169658Notes

Reaction equation

HRID 169658 reaction equation
[C:21]([CH3:22])([CH3:23])([CH3:24])[c:25]1[c:26]([S:34][S:35]([c:36]2[cH:37][cH:38][c:39]([CH3:40])[cH:41][cH:42]2)(=[O:43])=[O:44])[cH:27][c:28]([CH3:33])[c:29]([CH2:31][OH:32])[cH:30]1.[C:45](=[O:46])([O-:47])[O-:48].[K+:49].[K+:50].[O:51]=[CH:52][N:53]([CH3:54])[CH3:55].[OH:1][C:2]1=[CH:3][C:4](=[O:20])[O:5][C:6]([CH:8]([CH3:9])[CH3:10])([CH2:11][CH2:12][c:13]2[cH:14][s:15][c:16]([CH2:18][OH:19])[cH:17]2)[CH2:7]1>>[OH:1][C:2]1=[C:3]([S:34][c:26]2[c:25]([C:21]([CH3:22])([CH3:23])[CH3:24])[cH:30][c:29]([CH2:31][OH:32])[c:28]([CH3:33])[cH:27]2)[C:4](=[O:20])[O:5][C:6]([CH:8]([CH3:9])[CH3:10])([CH2:11][CH2:12][c:13]2[cH:14][s:15][c:16]([CH2:18][OH:19])[cH:17]2)[CH2:7]1

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 10499026S-[2-Tert-butyl-4-(hydroxymethyl)-5-methylphenyl] 4-methylbenzenesulfonothioateHCID 546770384-Hydroxy-6-[2-(5-hydroxymethyl-thiophen-3-yl)-ethyl]-6-isopropyl-5,6-dihydro-pyran-2-one

Product 1

HCID 546770065-[2-tert-butyl-4-(hydroxymethyl)-5-methyl-phenyl]sulfanyl-4-hydroxy-2-[2-[5-(hydroxymethyl)-3-thienyl]ethyl]-2-isopropyl-3H-pyran-6-one

Sources & evidence

ORD record
ord-3314c177a11e486ca2b112ba5968be99
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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