Acetic Acid → 6,7,8,9-Tetrahydro-5H-pyrido[2,3-b]azepin-5-one
Reaction equation
[CH3:1][c:2]1[cH:3][cH:4][c:5]([S:6](=[O:7])(=[O:8])[N:11]2[c:12]3[c:13]([cH:19][cH:20][cH:21][n:22]3)[C:14](=[O:18])[CH2:15][CH2:16][CH2:17]2)[cH:9][cH:10]1.[CH3:31][C:32](=[O:33])[OH:34].[Na+:30].[OH-:29].[OH2:28].[S:23](=[O:24])(=[O:25])([OH:26])[OH:27]>>[NH:11]1[c:12]2[c:13]([cH:19][cH:20][cH:21][n:22]2)[C:14](=[O:18])[CH2:15][CH2:16][CH2:17]1Participants
7
Sources & evidence
- ORD record
- ord-15c5e90d89d749938ea8e6fd1ef5b822
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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