Acetic Acid → 5-[5-(Benzylamino-methyl)-pyridin-3-yl]-3-methyl-3H-benzooxazol-2-one
Reaction equation
[C:32]([O:33][BH-:34]([O:35][C:36](=[O:37])[CH3:38])[O:39][C:40](=[O:41])[CH3:42])(=[O:43])[CH3:44].[CH3:1][n:2]1[c:3](=[O:19])[o:4][c:5]2[c:6]1[cH:7][c:8](-[c:11]1[cH:12][c:13]([CH:17]=[O:18])[cH:14][n:15][cH:16]1)[cH:9][cH:10]2.[CH3:28][C:29](=[O:30])[OH:31].[Cl:46][CH2:47][Cl:48].[NH2:20][CH2:21][c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1.[Na+:45]>>[CH3:1][n:2]1[c:3](=[O:19])[o:4][c:5]2[c:6]1[cH:7][c:8](-[c:11]1[cH:12][c:13]([CH2:17][NH:20][CH2:21][c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[cH:14][n:15][cH:16]1)[cH:9][cH:10]2Participants
7
Sources & evidence
- ORD record
- ord-af551fd0ddf046919fb7a4ced2f1fef9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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