Trifluoroacetic acid → 7-amino-9a-butyl-6-fluoro-4-nitro-1,2,9,9a-tetrahydro-3H-fluoren-3-one

HRID 1206304Notes

Reaction equation

HRID 1206304 reaction equation
[Br:21][C:22]1=[C:34]([Br:35])[C:32]([N+:29](=[O:30])[O-:31])([CH3:33])[C:27]([Br:28])=[C:25]([Br:26])[C:23]1=[O:24].[CH3:43][CH2:44][O:45][C:46]([CH3:47])=[O:48].[NH2:1][c:2]1[c:3]([F:20])[cH:4][c:5]2[c:13]([cH:14]1)[CH2:12][C:11]1([CH2:15][CH2:16][CH2:17][CH3:18])[C:6]2=[CH:7][C:8](=[O:19])[CH2:9][CH2:10]1.[OH:36][C:37]([C:38]([F:39])([F:40])[F:41])=[O:42]>>[NH2:1][c:2]1[c:3]([F:20])[cH:4][c:5]2[c:13]([cH:14]1)[CH2:12][C:11]1([CH2:15][CH2:16][CH2:17][CH3:18])[C:6]2=[C:7]([N+:29](=[O:30])[O-:31])[C:8](=[O:19])[CH2:9][CH2:10]1

Participants

5

Reactant 4

HCID 6422Trifluoroacetic acidHCID 8857Ethyl AcetateHCID 27245472,3,5,6-Tetrabromo-4-methyl-4-nitro-2,5-cyclohexadien-1-oneHCID 179726817-amino-9a-butyl-6-fluoro-1,2,9,9a-tetrahydro-3H-fluoren-3-one

Product 1

HCID 99015457-amino-9a-butyl-6-fluoro-4-nitro-1,2,9,9a-tetrahydro-3H-fluoren-3-one

Sources & evidence

ORD record
ord-ee8baa6e23c245f7bfcb99cff4cec857
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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