Acetic Acid → 2-Chloro-6-isopropylaminobenzothiazole
Reaction equation
[C:16]([O:17][BH-:18]([O:19][C:20](=[O:21])[CH3:22])[O:23][C:24](=[O:25])[CH3:26])(=[O:27])[CH3:28].[CH3:12][C:13]([CH3:14])=[O:15].[CH3:30][C:31](=[O:32])[OH:33].[Cl:34][CH:35]([Cl:36])[CH3:37].[NH2:1][c:2]1[cH:3][c:4]2[c:5]([n:6][c:7]([Cl:9])[s:8]2)[cH:10][cH:11]1.[Na+:29].[OH2:38]>>[NH:1]([c:2]1[cH:3][c:4]2[c:5]([n:6][c:7]([Cl:9])[s:8]2)[cH:10][cH:11]1)[CH:13]([CH3:12])[CH3:14]Participants
8
Sources & evidence
- ORD record
- ord-5912b6354ebc4911b97bda602edba3cb
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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