Potassium Cation → 5-(4-amino-2-tert-butyl-5-methyl-phenyl)sulfanyl-2-cyclopentyl-4-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-3H-pyran-6-one

HRID 305592Notes

Reaction equation

HRID 305592 reaction equation
[C:46]([c:47]1[cH:48][c:49]([CH2:50][OH:51])[c:52]([CH3:53])[cH:54][c:55]1[S:56][S:57]([c:58]1[cH:59][cH:60][c:61]([CH3:62])[cH:63][cH:64]1)(=[O:65])=[O:66])([CH3:67])([CH3:68])[CH3:69].[C:70](=[O:71])([O-:72])[O-:73].[CH:1]1([C:6]2([CH2:14][CH2:15][c:16]3[cH:17][cH:18][c:19]([OH:22])[cH:20][cH:21]3)[CH2:7][C:8]([OH:13])=[CH:9][C:10](=[O:12])[O:11]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[K+:74].[K+:75].[NH2:23][c:24]1[cH:25][c:26]([C:42]([CH3:43])([CH3:44])[CH3:45])[c:27]([S:31][S:32]([c:33]2[cH:34][cH:35][c:36]([CH3:37])[cH:38][cH:39]2)(=[O:40])=[O:41])[cH:28][c:29]1[CH3:30].[O:76]=[CH:77][N:78]([CH3:79])[CH3:80]>>[CH:1]1([C:6]2([CH2:14][CH2:15][c:16]3[cH:17][cH:18][c:19]([OH:22])[cH:20][cH:21]3)[CH2:7][C:8]([OH:13])=[C:9]([S:31][c:27]3[c:26]([C:42]([CH3:43])([CH3:44])[CH3:45])[cH:25][c:24]([NH2:23])[c:29]([CH3:30])[cH:28]3)[C:10](=[O:12])[O:11]2)[CH2:2][CH2:3][CH2:4][CH2:5]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 10499026S-[2-Tert-butyl-4-(hydroxymethyl)-5-methylphenyl] 4-methylbenzenesulfonothioateHCID 10569823Toluene-4-thiosulfonic acid S-(4-amino-2-tert-butyl-5-methyl-phenyl) esterHCID 547203312-cyclopentyl-4-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-3H-pyran-6-one

Product 1

HCID 547131965-(4-amino-2-tert-butyl-5-methyl-phenyl)sulfanyl-2-cyclopentyl-4-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-3H-pyran-6-one

Sources & evidence

ORD record
ord-12132c8a190b4eb9aaa89c9df67d98e8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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