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

HRID 162117Notes

Reaction equation

HRID 162117 reaction equation
[C:23]([CH3:24])(=[O:25])[NH:26][c:27]1[cH:28][c:29]([C:45]([CH3:46])([CH3:47])[CH3:48])[c:30]([S:34][S:35]([c:36]2[cH:37][cH:38][c:39]([CH3:40])[cH:41][cH:42]2)(=[O:43])=[O:44])[cH:31][c:32]1[CH3:33].[C:49]([c:50]1[cH:51][c:52]([CH2:53][OH:54])[c:55]([CH3:56])[cH:57][c:58]1[S:59][S:60]([c:61]1[cH:62][cH:63][c:64]([CH3:65])[cH:66][cH:67]1)(=[O:68])=[O:69])([CH3:70])([CH3:71])[CH3:72].[C:73](=[O:74])([O-:75])[O-:76].[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+:77].[K+:78].[O:79]=[CH:80][N:81]([CH3:82])[CH3:83]>>[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:34][c:30]3[c:29]([C:45]([CH3:46])([CH3:47])[CH3:48])[cH:28][c:27]([NH:26][C:23]([CH3:24])=[O:25])[c:32]([CH3:33])[cH:31]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 547203312-cyclopentyl-4-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-3H-pyran-6-oneHCID 69595592N-[5-tert-butyl-2-methyl-4-(4-methylphenyl)sulfonylsulfanylphenyl]acetamide

Product 1

HCID 54689591N-[5-tert-butyl-4-[[2-cyclopentyl-4-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-6-oxo-3H-pyran-5-yl]sulfanyl]-2-methyl-phenyl]acetamide

Sources & evidence

ORD record
ord-cadb29876dc044039a049120c20b7635
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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