Toluene → 6-Nitro-isochroman-1,3-dione

HRID 103722Notes

Reaction equation

HRID 103722 reaction equation
[C:1](=[O:2])([OH:3])[CH2:4][c:5]1[c:6]([C:7](=[O:8])[OH:9])[cH:10][cH:11][c:12]([N+:14](=[O:15])[O-:16])[cH:13]1.[CH3:17][C:18]([O:19][C:20](=[O:21])[CH3:22])=[O:23].[CH3:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1>>[C:1]1(=[O:2])[CH2:4][c:5]2[c:6]([cH:10][cH:11][c:12]([N+:14](=[O:15])[O-:16])[cH:13]2)[C:7](=[O:9])[O:8]1

Participants

4

Reactant 3

HCID 1140TolueneHCID 7918Acetic AnhydrideHCID 71720252-(Carboxymethyl)-4-nitrobenzoic acid

Product 1

HCID 156814366-Nitro-isochroman-1,3-dione

Sources & evidence

ORD record
ord-8aeb15dafb4d47219ab40eff7c0893c3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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