Benzene → 3-nitro-7-methylamino-6,7,8,9-tetrahydro [5H] benzocycloheptene-5-one
Reaction equation
[CH3:1][NH2:2].[CH3:24][CH2:25][OH:26].[N+:3](=[O:4])([O-:5])[c:6]1[cH:7][c:8]2[c:9]([cH:16][cH:17]1)[CH2:10][CH2:11][CH:12]=[CH:13][C:14]2=[O:15].[cH:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1>>[CH3:1][NH:2][CH:12]1[CH2:11][CH2:10][c:9]2[c:8]([cH:7][c:6]([N+:3](=[O:4])[O-:5])[cH:17][cH:16]2)[C:14](=[O:15])[CH2:13]1Participants
5
Sources & evidence
- ORD record
- ord-b1a7fa8b1cac4128858194ba97c58fde
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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