Chloride → 2,2,4,4,7-Pentamethyl-6-acetylchroman

HRID 103006Notes

Reaction equation

HRID 103006 reaction equation
[Al+3:21].[CH3:16][C:17]([Cl:18])=[O:19].[CH3:1][C:2]1([CH3:15])[O:3][c:4]2[cH:5][c:6]([CH3:14])[cH:7][cH:8][c:9]2[C:10]([CH3:12])([CH3:13])[CH2:11]1.[Cl-:20].[Cl-:22].[Cl-:23].[N+:24]([CH3:25])([O-:26])=[O:27].[OH2:28]>>[CH3:1][C:2]1([CH3:15])[O:3][c:4]2[cH:5][c:6]([CH3:14])[c:7]([C:17]([CH3:16])=[O:19])[cH:8][c:9]2[C:10]([CH3:12])([CH3:13])[CH2:11]1

Participants

7

Reactant 6

HCID 312Chloride3×HCID 962WaterHCID 6367Acetyl chlorideHCID 6375NitromethaneHCID 104727Aluminum CationHCID 156611242,2,4,4,7-Pentamethyl-chroman

Product 1

HCID 156611372,2,4,4,7-Pentamethyl-6-acetylchroman

Sources & evidence

ORD record
ord-7ea106d475df416383321a22df0c48d5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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