Acetate → 3-chloro-4-oxo-2,3,4,5-tetrahydro-1H-naphtho[2,1-b]azepine
Reaction equation
[C:22]([O-:23])(=[O:24])[CH3:25].[CH3:29][C:30](=[O:31])[OH:32].[Cl:1][C:2]1([Cl:18])[CH2:3][CH2:4][c:5]2[c:6]([cH:10][cH:11][c:12]3[cH:13][cH:14][cH:15][cH:16][c:17]23)[NH:7][C:8]1=[O:9].[H:27][H:28].[Na+:26].[OH2:19].[OH2:20].[OH2:21]>>[Cl:1][CH:2]1[CH2:3][CH2:4][c:5]2[c:6]([cH:10][cH:11][c:12]3[cH:13][cH:14][cH:15][cH:16][c:17]23)[NH:7][C:8]1=[O:9]Participants
7
Sources & evidence
- ORD record
- ord-c7e2f9cf6da846309b408c946dd9f0fc
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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