Acetic Acid → 6-Phenoxy-o-cresol

HRID 96021

Reaction equation

HRID 96021 reaction equation
[CH3:1][c:2]1[c:3]([NH2:4])[c:5]([O:9][c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[cH:6][cH:7][cH:8]1.[CH3:27][C:28](=[O:29])[OH:30].[ClH:16].[F:21][B-:22]([F:23])([F:24])[F:25].[H+:26].[N:17](=[O:18])[O-:19].[Na+:20].[OH2:31]>>[CH3:1][c:2]1[c:3]([OH:18])[c:5]([O:9][c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[cH:6][cH:7][cH:8]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 923Sodium ionHCID 946NitriteHCID 962WaterHCID 1038Hydrogen cationHCID 26255TetrafluoroborateHCID 122900472-Methyl-6-phenoxyaniline

Product 1

HCID 227346816-Phenoxy-o-cresol

Sources & evidence

ORD record
ord-fbf731b5529a4521ad2ee579d0aaec24
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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