Acetic Acid → 3-iodo-5-methyl-7-(trifluoroacetyl)-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepin-2-ol
Reaction equation
[C:35]([OH:36])(=[O:37])[CH3:38].[CH3:1][CH:2]1[c:3]2[c:4]([n:15][c:16]([OH:19])[cH:17][cH:18]2)[CH2:5][CH2:6][N:7]([C:9]([C:10]([F:11])([F:12])[F:13])=[O:14])[CH2:8]1.[F:28][C:29]([F:30])([F:31])[C:32]([OH:33])=[O:34].[O:20]=[C:21]1[N:22]([I:27])[C:23](=[O:24])[CH2:25][CH2:26]1>>[CH3:1][CH:2]1[c:3]2[c:4]([n:15][c:16]([OH:19])[c:17]([I:27])[cH:18]2)[CH2:5][CH2:6][N:7]([C:9]([C:10]([F:11])([F:12])[F:13])=[O:14])[CH2:8]1Participants
5
Sources & evidence
- ORD record
- ord-abc7f0c9161c476fa84bc3a3d766ebe6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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