Ticlatone → 6-Chloro-3-oxo-3H-benzo[d]isothiazole-2-carboxylic acid butylamide
Reaction equation
[CH3:12][CH2:13][CH2:14][CH2:15][N:16]=[C:17]=[O:18].[Cl:1][c:2]1[cH:3][c:4]2[c:5]([c:6](=[O:9])[nH:7][s:8]2)[cH:10][cH:11]1>>[Cl:1][c:2]1[cH:3][c:4]2[c:5]([c:6](=[O:9])[n:7]([C:17]([NH:16][CH2:15][CH2:14][CH2:13][CH3:12])=[O:18])[s:8]2)[cH:10][cH:11]1Participants
3
Sources & evidence
- ORD record
- ord-642d9c47250d4366a2eb09f9e6537ffd
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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