Methanol → 4-[3-(3,4-Dimethoxyphenyl)propoxy]-2-hydroxy-3-propylbenzoic acid
Reaction equation
[CH3:1][O:2][C:3]([c:4]1[c:5]([OH:27])[c:6]([CH2:24][CH2:25][CH3:26])[c:7]([O:10][CH2:11][CH2:12][CH2:13][c:14]2[cH:15][c:16]([O:22][CH3:23])[c:17]([O:20][CH3:21])[cH:18][cH:19]2)[cH:8][cH:9]1)=[O:28].[CH3:29][OH:30].[Na+:32].[OH-:31]>>[O:2]=[C:3]([c:4]1[c:5]([OH:27])[c:6]([CH2:24][CH2:25][CH3:26])[c:7]([O:10][CH2:11][CH2:12][CH2:13][c:14]2[cH:15][c:16]([O:22][CH3:23])[c:17]([O:20][CH3:21])[cH:18][cH:19]2)[cH:8][cH:9]1)[OH:28]Participants
5
Sources & evidence
- ORD record
- ord-b3d7bf1f86464d0b9abeb5cf3b60b8ee
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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