Cuminaldehyde → 2-Nitro-1-(p-isopropylphenyl)-1-propanol

HRID 144335

Reaction equation

HRID 144335 reaction equation
[CH3:25][CH2:26][OH:27].[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]([CH:8]=[O:9])[cH:10][cH:11]1.[N+:17](=[O:18])([O-:19])[CH2:20][CH3:21].[Na+:16].[Na+:23].[OH-:22].[OH2:24].[S:12](=[O:13])([OH:14])[O-:15]>>[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]([CH:8]([OH:9])[CH:20]([N+:17](=[O:18])[O-:19])[CH3:21])[cH:10][cH:11]1

Participants

8

Reactant 7

HCID 326CuminaldehydeHCID 702EthanolHCID 923Sodium ion2×HCID 961HydroxideHCID 962WaterHCID 6587NitroethaneHCID 104748Bisulfite

Product 1

HCID 214957142-Nitro-1-(p-isopropylphenyl)-1-propanol

Sources & evidence

ORD record
ord-b26864086dfb4fa8bc2d9a1c6256e341
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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