Ethanol → Fenoprofen

HRID 2338260Notes

Reaction equation

HRID 2338260 reaction equation
[C:25]([OH:26])([CH3:27])([CH3:28])[CH3:29].[CH3:1][S:2][C:3]([C:4](=[O:5])[OH:6])([CH3:7])[c:8]1[cH:9][c:10]([O:14][c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[cH:11][cH:12][cH:13]1.[CH3:22][CH2:23][OH:24].[Na:21].[O:30]1[CH2:31][CH2:32][CH2:33][CH2:34]1>>[CH:3]([C:4](=[O:5])[OH:6])([CH3:7])[c:8]1[cH:9][c:10]([O:14][c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[cH:11][cH:12][cH:13]1

Participants

6

Reactant 5

HCID 702EthanolHCID 6386tert-ButanolHCID 8028TetrahydrofuranHCID 5360545SodiumHCID 12917672alpha-Methylthio-alpha-(m-phenoxyphenyl)propionic acid

Product 1

HCID 3342Fenoprofen

Sources & evidence

ORD record
ord-8a795e5f25584e9b817d0e6a3626284c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

Loading…