Sodium ion → Ethyl 4-hydroxy-3-methylbenzoate

HRID 1121768

Reaction equation

HRID 1121768 reaction equation
[N+:31]([O-:32])([OH:33])=[O:34].[N:20]([O-:21])=[O:22].[NH2:1][c:2]1[c:3]([CH3:13])[cH:4][c:5]([C:6](=[O:7])[O:8][CH2:9][CH3:10])[cH:11][cH:12]1.[NH2:24][C:25](=[O:26])[NH2:27].[Na+:23].[OH2:19].[OH2:28].[OH2:29].[OH2:30].[OH2:35].[S:14]([OH:15])(=[O:16])(=[O:17])[OH:18]>>[c:2]1([OH:15])[c:3]([CH3:13])[cH:4][c:5]([C:6](=[O:7])[O:8][CH2:9][CH3:10])[cH:11][cH:12]1

Participants

8

Reactant 7

HCID 923Sodium ionHCID 944Nitric AcidHCID 946NitriteHCID 962Water5×HCID 1118Sulfuric AcidHCID 1176UreaHCID 282796Ethyl 4-amino-3-methylbenzoate

Product 1

HCID 12465307Ethyl 4-hydroxy-3-methylbenzoate

Sources & evidence

ORD record
ord-dc9df73a823b400ab072120ae64a6e75
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Linked notes

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