Methanol → 3-[[4-[1-[4-(4-Tert-butylphenyl)phenoxy]-3-methylbutyl]benzoyl]amino]-2-hydroxypropanoic acid
Reaction equation
[CH3:1][O:2][C:3]([CH:4]([CH2:5][NH:6][C:7]([c:8]1[cH:9][cH:10][c:11]([CH:14]([CH2:15][CH:16]([CH3:17])[CH3:18])[O:19][c:20]2[cH:21][cH:22][c:23](-[c:26]3[cH:27][cH:28][c:29]([C:32]([CH3:33])([CH3:34])[CH3:35])[cH:30][cH:31]3)[cH:24][cH:25]2)[cH:12][cH:13]1)=[O:36])[OH:37])=[O:38].[CH3:41][OH:42].[Na+:40].[OH-:39]>>[O:2]=[C:3]([CH:4]([CH2:5][NH:6][C:7]([c:8]1[cH:9][cH:10][c:11]([CH:14]([CH2:15][CH:16]([CH3:17])[CH3:18])[O:19][c:20]2[cH:21][cH:22][c:23](-[c:26]3[cH:27][cH:28][c:29]([C:32]([CH3:33])([CH3:34])[CH3:35])[cH:30][cH:31]3)[cH:24][cH:25]2)[cH:12][cH:13]1)=[O:36])[OH:37])[OH:38]Participants
5
Sources & evidence
- ORD record
- ord-288ec79a959345eeb3d20feb8d0acb50
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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