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Potassium Cation → 3-(2-tert-Butyl-4-hydroxymethyl-5-methyl-phenylsulfanyl)4-hydroxy-6-isopropyl-6-(2-thiophen-2-yl-ethyl)-5,6-dihydro-pyran-2-one

HRID 159310
Notes
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Reaction equation

HRID 159310 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].[CH3:49][CH2:50][O:51][C:52]([CH3:53])=[O:54].[Cl:60][CH2:61][Cl:62].[K+:47].[K+:48].[O:55]=[CH:56][N:57]([CH3:58])[CH3:59].[OH:1][C:2]1=[CH:3][C:4](=[O:18])[O:5][C:6]([CH2:8][CH2:9][c:10]2[s:11][cH:12][cH:13][cH: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][c:10]2[s:11][cH:12][cH:13][cH:14]2)([CH:15]([CH3:16])[CH3:17])[CH2:7]1
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 10499026S-[2-Tert-butyl-4-(hydroxymethyl)-5-methylphenyl] 4-methylbenzenesulfonothioate
HCID 54677059
4-Hydroxy-6-isopropyl-6-(2-thiophen-2-yl-ethyl)-5,6-dihydro-pyran-2-one

Product 1

HCID 546770573-(2-tert-Butyl-4-hydroxymethyl-5-methyl-phenylsulfanyl)4-hydroxy-6-isopropyl-6-(2-thiophen-2-yl-ethyl)-5,6-dihydro-pyran-2-one

Sources & evidence

ORD record
ord-560024cd27404937b7f5f671b08dca20
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes