Trifluoroacetic acid → 6-Methyl-5-nitro-1H-isochromen-1-one

HRID 1537640Notes

Reaction equation

HRID 1537640 reaction equation
[CH2:40]([O:41][C:42](=[O:43])[CH3:44])[CH3:45].[N+:1](=[O:2])([O-:3])[c:4]1[c:5]2[cH:6][cH:7][o:8][c:9](=[O:22])[c:10]2[cH:11][cH:12][c:13]1[CH2:14][C:15]([O:16][C:17]([CH3:18])([CH3:19])[CH3:20])=[O:21].[OH:23][C:24]([C:25]([F:26])([F:27])[F:28])=[O:29].[cH:30]1[cH:31][c:32]2[c:33]([n:34][cH:35][cH:36][cH:37]2)[cH:38][cH:39]1>>[N+:1](=[O:2])([O-:3])[c:4]1[c:5]2[cH:6][cH:7][o:8][c:9](=[O:22])[c:10]2[cH:11][cH:12][c:13]1[CH3:14]

Participants

5

Reactant 4

HCID 6422Trifluoroacetic acidHCID 7047QuinolineHCID 8857Ethyl AcetateHCID 59515864tert-butyl 2-(5-nitro-1-oxo-1H-isochromen-6-yl)acetate

Product 1

HCID 595157846-Methyl-5-nitro-1H-isochromen-1-one

Sources & evidence

ORD record
ord-f5d9aa40fc134bc5b44347fff0422932
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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