Acetic Acid → HCID 22466721, compound

HRID 209019Notes

Reaction equation

HRID 209019 reaction equation
[CH3:21][C:22](=[O:23])[OH:24].[Cl:1][CH2:2][CH2:3][CH2:4][O:5][c:6]1[c:7]([O:15][CH3:16])[cH:8][c:9]([C:10](=[O:11])[OH:12])[cH:13][cH:14]1.[N:17](=[O:18])[O-:19].[Na+:20].[OH2:29].[OH:25][N+:26](=[O:27])[O-:28]>>[Cl:1][CH2:2][CH2:3][CH2:4][O:5][c:6]1[c:7]([O:15][CH3:16])[cH:8][c:9]([C:10](=[O:11])[OH:12])[c:13]([N+:17](=[O:18])[O-:19])[cH:14]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 923Sodium ionHCID 944Nitric AcidHCID 946NitriteHCID 962WaterHCID 10354496Benzoic acid, 4-(3-chloropropoxy)-3-methoxy-

Product 1

HCID 22466721HCID 22466721, compound

Sources & evidence

ORD record
ord-b0f0d6bb912a4973a154f28b89ed13c6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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