Toluene → 6-nitro-2,2,3-trimethyl-2H-1-benzopyran

HRID 2144592Notes

Reaction equation

HRID 2144592 reaction equation
[CH3:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1.[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]2[c:8]([cH:17]1)[CH:9]([OH:16])[CH:10]([CH3:15])[C:11]([CH3:13])([CH3:14])[O:12]2.[c:18]1([CH3:19])[cH:20][cH:21][c:22]([S:23]([OH:24])(=[O:25])=[O:26])[cH:27][cH:28]1>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]2[c:8]([cH:17]1)[CH:9]=[C:10]([CH3:15])[C:11]([CH3:13])([CH3:14])[O:12]2

Participants

4

Reactant 3

HCID 1140TolueneHCID 6101p-Toluenesulfonic acidHCID 19387095HCID 19387095, compound

Product 1

HCID 157118816-nitro-2,2,3-trimethyl-2H-1-benzopyran

Sources & evidence

ORD record
ord-6af3815142ad4027a27bf231605ae566
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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