Acetic Acid → 2-Chloro-6-butylaminobenzothiazole
Reaction equation
[C:17]([O:18][BH-:19]([O:20][C:21](=[O:22])[CH3:23])[O:24][C:25](=[O:26])[CH3:27])(=[O:28])[CH3:29].[CH3:31][C:32](=[O:33])[OH:34].[CH:12]([CH2:13][CH2:14][CH3:15])=[O:16].[Cl:35][CH:36]([Cl:37])[CH3:38].[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+:30].[OH2:39]>>[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)[CH2:12][CH2:13][CH2:14][CH3:15]Participants
8
Sources & evidence
- ORD record
- ord-650e38a233aa4708be367ab1813977b8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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