Potassium Cation → N-Ethylsulfamic acid, 5-tert-butyl-4-{6-cyclohexyl-4-hydroxy-6-[2-(4-hydroxyphenyl)ethyl]-2-oxo-5,6-dihydro-2H-pyran-3-ylsulfanyl}-2-methyl-phenyl ester

HRID 174575Notes

Reaction equation

HRID 174575 reaction equation
[C:24]([CH3:25])([CH3:26])([CH3:27])[c:28]1[c:29]([S:42][S:43]([c:44]2[cH:45][cH:46][c:47]([CH3:48])[cH:49][cH:50]2)(=[O:51])=[O:52])[cH:30][c:31]([CH3:41])[c:32]([O:34][S:35]([NH:36][CH2:37][CH3:38])(=[O:39])=[O:40])[cH:33]1.[CH:1]1([C:7]2([CH2:15][CH2:16][c:17]3[cH:18][cH:19][c:20]([OH:23])[cH:21][cH:22]3)[CH2:8][C:9]([OH:14])=[CH:10][C:11](=[O:13])[O:12]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[K+:53].[K+:54].[O-:55][C:56]([O-:57])=[O:58].[O:59]=[CH:60][N:61]([CH3:62])[CH3:63]>>[CH:1]1([C:7]2([CH2:15][CH2:16][c:17]3[cH:18][cH:19][c:20]([OH:23])[cH:21][cH:22]3)[CH2:8][C:9]([OH:14])=[C:10]([S:42][c:29]3[c:28]([C:24]([CH3:25])([CH3:26])[CH3:27])[cH:33][c:32]([O:34][S:35]([NH:36][CH2:37][CH3:38])(=[O:39])=[O:40])[c:31]([CH3:41])[cH:30]3)[C:11](=[O:13])[O:12]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 10551814toluene-4-thiosulfonic acid S-(2-tert-butyl-4-ethylsulfamoyloxy-5-methyl-phenyl) esterHCID 547203146-Cyclohexyl-4-hydroxy-6-[2-(4-hydroxy-phenyl)-ethyl]-5,6-dihydro-pyran-2-one

Product 1

HCID 54689051N-Ethylsulfamic acid, 5-tert-butyl-4-{6-cyclohexyl-4-hydroxy-6-[2-(4-hydroxyphenyl)ethyl]-2-oxo-5,6-dihydro-2H-pyran-3-ylsulfanyl}-2-methyl-phenyl ester

Sources & evidence

ORD record
ord-d2ef2431e81543b7b96d18cd36525267
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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