Acetic Acid → 2-Nitro-4-propanoylbenzoic acid

HRID 1136931Notes

Reaction equation

HRID 1136931 reaction equation
[CH3:24][C:25](=[O:26])[OH:27].[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([C:6]#[N:7])[cH:8][cH:9][c:10]([C:12]([CH2:13][CH3:14])=[O:15])[cH:11]1.[Na+:23].[OH-:22].[OH2:16].[S:17](=[O:18])(=[O:19])([OH:20])[OH:21]>>[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([C:6](=[O:16])[OH:22])[cH:8][cH:9][c:10]([C:12]([CH2:13][CH3:14])=[O:15])[cH:11]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 1118Sulfuric AcidHCID 669346362-Nitro-4-propionylbenzonitrile

Product 1

HCID 669348322-Nitro-4-propanoylbenzoic acid

Sources & evidence

ORD record
ord-79cec2667eb247d0a66eabc66d175d2f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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