Hydrochloric Acid → 6-Chloro-3-methyl-5-nitro-1,2-benzisothiazole
Reaction equation
[CH3:23][C:24]#[N:25].[Cl:26][Cu:27][Cl:28].[ClH:22].[N:1]([O:2][C:3]([CH3:4])([CH3:5])[CH3:6])=[O:7].[NH2:8][c:9]1[cH:10][c:11]2[c:12]([c:13]([CH3:16])[n:14][s:15]2)[cH:17][c:18]1[N+:19](=[O:20])[O-:21]>>[c:9]1([Cl:22])[cH:10][c:11]2[c:12]([c:13]([CH3:16])[n:14][s:15]2)[cH:17][c:18]1[N+:19](=[O:20])[O-:21]Participants
6
Sources & evidence
- ORD record
- ord-3aa7f393fc044e6b9841f34a32224cd5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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