Methanol → 4-Methoxy-3-isochromanone
Reaction equation
[CH3:18][O:19][CH:20]([C:25]([O:36][CH2:37][CH3:38])=[O:39])[c:26]1[c:27]([CH2:32][O:33][CH:34]2[CH2:21][CH2:22][CH2:23][CH2:24][O:35]2)[cH:28][cH:29][cH:30][cH:31]1.[CH3:41][OH:42].[OH2:40].[c:1]1([CH3:2])[cH:3][cH:4][c:5]([S:6]([O-:7])(=[O:8])=[O:9])[cH:10][cH:11]1.[nH+:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1>>[CH3:18][O:19][CH:20]1[c:26]2[c:27]([cH:28][cH:29][cH:30][cH:31]2)[CH2:32][O:33][C:34]1=[O:35]Participants
6
Sources & evidence
- ORD record
- ord-e403e77ec073407f858e298d8153397b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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