Acetone → (5-Allyloxy-2-nitro-phenyl)-(4-isopropyl-phenyl)-methanone

HRID 102437Notes

Reaction equation

HRID 102437 reaction equation
[CH2:1]([CH:2]=[CH2:3])[O:4][c:5]1[cH:6][cH:7][c:8]([N+:22](=[O:23])[O-:24])[c:9]([CH:11]([OH:12])[c:13]2[cH:14][cH:15][c:16]([CH:19]([CH3:20])[CH3:21])[cH:17][cH:18]2)[cH:10]1.[CH3:36][C:37](=[O:38])[CH3:39].[CH:25]([OH:26])([CH3:27])[CH3:28].[Cl-:34].[NH4+:35].[Na+:33].[S:29](=[O:30])([OH:31])[O-:32]>>[CH2:1]([CH:2]=[CH2:3])[O:4][c:5]1[cH:6][cH:7][c:8]([N+:22](=[O:23])[O-:24])[c:9]([C:11](=[O:12])[c:13]2[cH:14][cH:15][c:16]([CH:19]([CH3:20])[CH3:21])[cH:17][cH:18]2)[cH:10]1

Participants

8

Reactant 7

HCID 180AcetoneHCID 223AmmoniumHCID 312ChlorideHCID 923Sodium ionHCID 3776IsopropanolHCID 104748BisulfiteHCID 59259038(5-Allyloxy-2-nitro-phenyl)-(4-isopropyl-phenyl)-methanol

Product 1

HCID 59259161(5-Allyloxy-2-nitro-phenyl)-(4-isopropyl-phenyl)-methanone

Sources & evidence

ORD record
ord-a80c8e87c2a54ac6b25d45b09377ca46
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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