Acetic Acid → N-[[4-[3-hydroxy-2-(hydroxymethyl)propoxy]-3,5-dimethylphenyl]methyl]-3,3,9-trimethyl-8-thiatricyclo[4.3.0.02,4]nona-1(9),6-diene-7-carboxamide
Reaction equation
[CH3:1][C:2]1([CH3:34])[O:3][CH2:4][CH:5]([CH2:8][O:9][c:10]2[c:11]([CH3:33])[cH:12][c:13]([CH2:14][NH:15][C:16](=[O:17])[c:18]3[c:19]4[c:23]([c:24]([CH3:26])[s:25]3)[CH:22]3[CH:21]([CH2:20]4)[C:27]3([CH3:28])[CH3:29])[cH:30][c:31]2[CH3:32])[CH2:6][O:7]1.[CH3:35][C:36](=[O:37])[OH:38].[OH2:39]>>[OH:3][CH2:4][CH:5]([CH2:6][OH:7])[CH2:8][O:9][c:10]1[c:11]([CH3:33])[cH:12][c:13]([CH2:14][NH:15][C:16](=[O:17])[c:18]2[c:19]3[c:23]([c:24]([CH3:26])[s:25]2)[CH:22]2[CH:21]([CH2:20]3)[C:27]2([CH3:28])[CH3:29])[cH:30][c:31]1[CH3:32]Participants
4
Sources & evidence
- ORD record
- ord-2ffc48271f3042898a2a894e3a118f5c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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