Sodium ion → 4-Amino-2,3,6-trimethylphenol

HRID 316760Notes

Reaction equation

HRID 316760 reaction equation
[C:12](=[O:13])([O-:14])[O-:15].[CH3:24][c:25]1[c:26]([OH:33])[c:27]([CH3:32])[cH:28][cH:29][c:30]1[CH3:31].[CH3:43][CH2:44][O:45][C:46](=[O:47])[CH3:48].[N:18]([O-:19])=[O:20].[Na+:16].[Na+:17].[Na+:21].[Na+:23].[Na+:40].[Na+:41].[OH-:22].[OH2:42].[S:1]([OH:2])(=[O:3])([c:4]1[cH:5][cH:6][c:7]([NH2:9])[cH:8][cH:10]1)=[O:11].[S:34]([S:35]([O-:36])=[O:37])([O-:38])=[O:39]>>[NH2:9][c:29]1[cH:28][c:27]([CH3:32])[c:26]([OH:33])[c:25]([CH3:24])[c:30]1[CH3:31]

Participants

10

Reactant 9

HCID 923Sodium ion6×HCID 946NitriteHCID 961HydroxideHCID 962WaterHCID 1086DithioniteHCID 8479Sulfanilic acidHCID 8857Ethyl AcetateHCID 170162,3,6-TrimethylphenolHCID 19660Carbonate Ion

Product 1

HCID 826664-Amino-2,3,6-trimethylphenol

Sources & evidence

ORD record
ord-bf00c77468ea4e5aa23fbf2e26e122ec
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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