Dimethyl Sulfoxide → Methyl 2-[2-[[1-[4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]benzoate

HRID 159788Notes

Reaction equation

HRID 159788 reaction equation
[C:28](=[O:29])([O-:30])[O-:31].[CH3:45][S:46]([CH3:47])=[O:48].[CH3:49][CH2:50][O:51][C:52]([CH3:53])=[O:54].[Cl:1][CH2:2][C:3](=[O:4])[NH:5][CH:6]([C:7](=[O:8])[N:9]1[CH2:10][C:11]([CH3:23])([CH3:24])[C:12]([OH:15])([c:16]2[cH:17][cH:18][c:19]([Cl:22])[cH:20][cH:21]2)[CH2:13][CH2:14]1)[CH:25]([CH3:26])[CH3:27].[K+:32].[K+:33].[OH:34][c:35]1[c:36]([C:37](=[O:38])[O:39][CH3:40])[cH:41][cH:42][cH:43][cH:44]1>>[CH2:2]([C:3](=[O:4])[NH:5][CH:6]([C:7](=[O:8])[N:9]1[CH2:10][C:11]([CH3:23])([CH3:24])[C:12]([OH:15])([c:16]2[cH:17][cH:18][c:19]([Cl:22])[cH:20][cH:21]2)[CH2:13][CH2:14]1)[CH:25]([CH3:26])[CH3:27])[O:34][c:35]1[c:36]([C:37](=[O:38])[O:39][CH3:40])[cH:41][cH:42][cH:43][cH:44]1

Participants

7

Reactant 6

HCID 679Dimethyl SulfoxideHCID 813Potassium Cation2×HCID 4133Methyl SalicylateHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 672999372-chloro-N-[1-[4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]acetamide

Product 1

HCID 67299645Methyl 2-[2-[[1-[4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]benzoate

Sources & evidence

ORD record
ord-8a430a33401d40ec96f2ed28f4d04bb4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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