Ethanol → (5-tert-Butyl-4-mercapto-2-methyl-phenoxy)acetic acid methyl ester
Reaction equation
[CH3:1][O:2][C:3]([CH2:4][O:5][c:6]1[c:7]([CH3:19])[cH:8][c:9]([S:16][C:17]#[N:18])[c:10]([C:12]([CH3:13])([CH3:14])[CH3:15])[cH:11]1)=[O:20].[CH3:29][CH2:30][OH:31].[SH:21][CH2:22][CH:23]([CH:24]([CH2:25][SH:26])[OH:27])[OH:28]>>[CH3:1][O:2][C:3]([CH2:4][O:5][c:6]1[c:7]([CH3:19])[cH:8][c:9]([SH:16])[c:10]([C:12]([CH3:13])([CH3:14])[CH3:15])[cH:11]1)=[O:20]Participants
4
Sources & evidence
- ORD record
- ord-74738ee5ba494cc5a3f0a47452ed0876
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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