Benzene → 7-benzylamino-3-nitro-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-one

HRID 683999

Reaction equation

HRID 683999 reaction equation
[CH3:30][CH2:31][OH:32].[N+:9](=[O:10])([O-:11])[c:12]1[cH:13][c:14]2[c:15]([cH:22][cH:23]1)[CH2:16][CH2:17][CH:18]=[CH:19][C:20]2=[O:21].[NH2:1][CH2:2][c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1.[cH:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1>>[NH:1]([CH2:2][c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[CH:18]1[CH2:17][CH2:16][c:15]2[c:14]([cH:13][c:12]([N+:9](=[O:10])[O-:11])[cH:23][cH:22]2)[C:20](=[O:21])[CH2:19]1

Participants

5

Reactant 4

HCID 241BenzeneHCID 702EthanolHCID 7504BenzylamineHCID 200947328,9-dihydro-3-nitro-5H-benzocyclohepten-5-one

Product 1

HCID 200948737-benzylamino-3-nitro-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-one

Sources & evidence

ORD record
ord-445a3945879d4f1db15b37c91ba384d3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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