Ethanol → 4-(2-Benzylsulfanyl-ethyl)-5-(4-bromo-phenyl)-3-methyl-isoxazole
Reaction equation
[Br:11][c:12]1[cH:13][cH:14][c:15](-[c:18]2[c:19]([CH2:24][CH2:25][O:26][S:27]([CH3:28])(=[O:29])=[O:30])[c:20]([CH3:23])[n:21][o:22]2)[cH:16][cH:17]1.[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[SH:8].[CH3:31][CH2:32][OH:33].[CH3:34][CH2:35][O:36][C:37]([CH3:38])=[O:39].[Na+:10].[OH-:9].[OH2:40]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[S:8][CH2:25][CH2:24][c:19]1[c:18](-[c:15]2[cH:14][cH:13][c:12]([Br:11])[cH:17][cH:16]2)[o:22][n:21][c:20]1[CH3:23]Participants
8
Sources & evidence
- ORD record
- ord-61ba90c83061420991d47a6a219445e3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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