Potassium Cation → 3-(2-tert-Butyl-4-hydroxy-5-methylphenylsulfanyl)-6-cyclohexyl-4-hydroxy-6-[2-(4-hydroxyphenyl)ethyl]-5,6-dihydropyran-2-one

HRID 158414Notes

Reaction equation

HRID 158414 reaction equation
[C:24]([CH3:25])([CH3:26])([CH3:27])[c:28]1[c:29]([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:30][c:31]([CH3:35])[c:32]([OH:34])[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+:47].[K+:48].[O-:49][C:50]([O-:51])=[O:52].[O:53]=[CH:54][N:55]([CH3:56])[CH3:57]>>[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:36][c:29]3[c:28]([C:24]([CH3:25])([CH3:26])[CH3:27])[cH:33][c:32]([OH:34])[c:31]([CH3:35])[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 10521842Toluene-4-thiosulfonic acid S-(2-tert-butyl-4-hydroxy-5-methyl-phenyl) esterHCID 547203146-Cyclohexyl-4-hydroxy-6-[2-(4-hydroxy-phenyl)-ethyl]-5,6-dihydro-pyran-2-one

Product 1

HCID 546822913-(2-tert-Butyl-4-hydroxy-5-methylphenylsulfanyl)-6-cyclohexyl-4-hydroxy-6-[2-(4-hydroxyphenyl)ethyl]-5,6-dihydropyran-2-one

Sources & evidence

ORD record
ord-950449a0b30943c78ef9dbf6781a226a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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