Acetic Acid → (RS)-3-(2-hydroxy-4-methyl-pent-3-enyl)-benzo[d]isothiazol-6-ol
Reaction equation
[C:38](=[O:39])([O-:40])[OH:41].[CH2:27]([Li:28])[CH2:29][CH2:30][CH3:31].[CH2:43]1[O:44][CH2:45][CH2:46][CH2:47]1.[CH3:13][CH:14]([N-:15][CH:16]([CH3:17])[CH3:18])[CH3:19].[CH3:1][c:2]1[n:3][s:4][c:5]2[c:6]1[cH:7][cH:8][c:9]([OH:11])[cH:10]2.[CH3:32][C:33](=[CH:34][CH:35]=[O:36])[CH3:37].[CH3:48][C:49](=[O:50])[OH:51].[CH:20]([NH:21][CH:22]([CH3:23])[CH3:24])([CH3:25])[CH3:26].[Li+:12].[Na+:42]>>[CH2:1]([c:2]1[n:3][s:4][c:5]2[c:6]1[cH:7][cH:8][c:9]([OH:11])[cH:10]2)[CH:35]([CH:34]=[C:33]([CH3:32])[CH3:37])[OH:36]Participants
11
Reactant 10
Product 1
Sources & evidence
- ORD record
- ord-14269015bb814ef2909284ac0a2ea38e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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