Acetic Acid → 8-Nitro-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylic acid ethyl ester
Reaction equation
[CH2:5]1[CH2:6][NH:7][CH:8]=[C:9]([C:19](=[O:20])[O:21][CH2:22][CH3:23])[c:10]2[nH:11][c:12]3[cH:13][cH:14][cH:15][cH:16][c:17]3[c:18]21.[CH3:26][C:27](=[O:28])[OH:29].[NH4+:24].[OH-:25].[OH:1][N+:2]([O-:3])=[O:4]>>[O-:1][N+:2](=[O:4])[c:14]1[cH:13][c:12]2[nH:11][c:10]3[c:18]([c:17]2[cH:16][cH:15]1)[CH2:5][CH2:6][NH:7][CH:8]=[C:9]3[C:19](=[O:20])[O:21][CH2:22][CH3:23]Participants
6
Sources & evidence
- ORD record
- ord-43bd94f8a02648118453ef553d58f83e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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