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

HRID 2146663Notes

Reaction equation

HRID 2146663 reaction equation
[C:19]([CH3:20])([CH3:21])([CH3:22])[c:23]1[c:24]([S:32][S:33]([c:34]2[cH:35][cH:36][c:37]([CH3:38])[cH:39][cH:40]2)(=[O:41])=[O:42])[cH:25][c:26]([CH3:31])[c:27]([CH2:29][OH:30])[cH:28]1.[C:43](=[O:44])([O-:45])[O-:46].[K+:47].[K+:48].[O:49]=[CH:50][N:51]([CH3:52])[CH3:53].[OH:1][C:2]1=[CH:3][C:4](=[O:18])[O:5][C:6]([CH2:8][CH2:9][CH:10]2[O:11][CH2:12][CH2:13][CH2:14]2)([CH:15]([CH3:16])[CH3:17])[CH2:7]1>>[OH:1][C:2]1=[C:3]([S:32][c:24]2[c:23]([C:19]([CH3:20])([CH3:21])[CH3:22])[cH:28][c:27]([CH2:29][OH:30])[c:26]([CH3:31])[cH:25]2)[C:4](=[O:18])[O:5][C:6]([CH2:8][CH2:9][CH:10]2[O:11][CH2:12][CH2:13][CH2:14]2)([CH:15]([CH3:16])[CH3:17])[CH2:7]1

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 10499026S-[2-Tert-butyl-4-(hydroxymethyl)-5-methylphenyl] 4-methylbenzenesulfonothioateHCID 546900444-Hydroxy-6-isopropyl-6-[2-(tetrahydro-furan-2-yl)-ethyl]-5,6-dihydro-pyran-2-one

Product 1

HCID 546803035-[2-tert-butyl-4-(hydroxymethyl)-5-methyl-phenyl]sulfanyl-4-hydroxy-2-isopropyl-2-(2-tetrahydrofuran-2-ylethyl)-3H-pyran-6-one

Sources & evidence

ORD record
ord-3c63c1bb7a7343718ece1ad2ac0a2b3b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

Loading…