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

HRID 1202795Notes

Reaction equation

HRID 1202795 reaction equation
[K+:50].[K+:51].[NH2:27][c:28]1[cH:29][c:30]([C:46]([CH3:47])([CH3:48])[CH3:49])[c:31]([S:35][S:36]([c:37]2[cH:38][cH:39][c:40]([CH3:41])[cH:42][cH:43]2)(=[O:44])=[O:45])[cH:32][c:33]1[CH3:34].[O-:52][C:53]([O-:54])=[O:55].[O:56]=[CH:57][N:58]([CH3:59])[CH3:60].[OH:1][C:2]1=[CH:3][C:4](=[O:26])[O:5][C:6]([CH2:8][CH2:9][c:10]2[cH:11][cH:12][c:13]([OH:16])[cH:14][cH:15]2)([CH2:17][CH2:18][c:19]2[cH:20][cH:21][c:22]([OH:25])[cH:23][cH:24]2)[CH2:7]1>>[OH:1][C:2]1=[C:3]([S:35][c:31]2[c:30]([C:46]([CH3:47])([CH3:48])[CH3:49])[cH:29][c:28]([NH2:27])[c:33]([CH3:34])[cH:32]2)[C:4](=[O:26])[O:5][C:6]([CH2:8][CH2:9][c:10]2[cH:11][cH:12][c:13]([OH:16])[cH:14][cH:15]2)([CH2:17][CH2:18][c:19]2[cH:20][cH:21][c:22]([OH:25])[cH:23][cH:24]2)[CH2:7]1

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 10569823Toluene-4-thiosulfonic acid S-(4-amino-2-tert-butyl-5-methyl-phenyl) esterHCID 546822654-Hydroxy-6,6-bis-[2-(4-hydroxy-phenyl)-ethyl]-5,6-dihydro-pyran-2-one

Product 1

HCID 546822773-(4-Amino-2-tert-butyl-5-methylphenylsulfanyl)-4-hydroxy-6,6-bis[2-(4-hydroxyphenyl)ethyl]-5,6-dihydropyran-2-one

Sources & evidence

ORD record
ord-f5c600cbd821461a88560b56dfe3033c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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