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

HRID 185280Notes

Reaction equation

HRID 185280 reaction equation
[C:27]([CH3:28])([CH3:29])([CH3:30])[c:31]1[c:32]([S:40][S:41]([c:42]2[cH:43][cH:44][c:45]([CH3:46])[cH:47][cH:48]2)(=[O:49])=[O:50])[cH:33][c:34]([CH3:39])[c:35]([CH2:37][OH:38])[cH:36]1.[K+:51].[K+:52].[O-:53][C:54]([O-:55])=[O:56].[O:57]=[CH:58][N:59]([CH3:60])[CH3:61].[OH:1][C:2]1=[CH:3][C:4](=[O:26])[O:5][C:6]([CH2:8][CH2:9][c:10]2[cH:11][c:12]([OH:16])[cH:13][cH:14][cH:15]2)([CH2:17][CH2:18][c:19]2[cH:20][c:21]([OH:25])[cH:22][cH:23][cH:24]2)[CH2:7]1>>[OH:1][C:2]1=[C:3]([S:40][c:32]2[c:31]([C:27]([CH3:28])([CH3:29])[CH3:30])[cH:36][c:35]([CH2:37][OH:38])[c:34]([CH3:39])[cH:33]2)[C:4](=[O:26])[O:5][C:6]([CH2:8][CH2:9][c:10]2[cH:11][c:12]([OH:16])[cH:13][cH:14][cH:15]2)([CH2:17][CH2:18][c:19]2[cH:20][c:21]([OH:25])[cH:22][cH:23][cH:24]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 546822904-Hydroxy-6,6-bis-[2-(3-hydroxy-phenyl)-ethyl]-5,6-dihydro-pyran-2-one

Product 1

HCID 546823113-(2-tert-Butyl-4-hydroxymethyl-5-methylphenylsulfanyl)-4-hydroxy-6,6-bis[2-(3-hydroxyphenyl)ethyl]-5,6-dihydropyran-2-one

Sources & evidence

ORD record
ord-8a12333af8764c6285cbe3bedd0d1b7e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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