2-Nitrophenol → HCID 19042592, compound

HRID 1204575Notes

Reaction equation

HRID 1204575 reaction equation
[CH3:15][CH:16]([CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH3:22])[OH:23].[N+:24]([c:25]1[cH:26][cH:27][cH:28][cH:29][c:30]1[OH:31])([O-:32])=[O:33].[OH:1][c:2]1[c:3]([N+:12](=[O:13])[O-:14])[cH:4][c:5]([C:6](=[O:7])[O:8][CH3:9])[cH:10][cH:11]1>>[O:1]([c:2]1[c:3]([N+:12](=[O:13])[O-:14])[cH:4][c:5]([C:6](=[O:7])[O:8][CH3:9])[cH:10][cH:11]1)[CH:16]([CH3:15])[CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH3:22]

Participants

4

Reactant 3

HCID 69472-NitrophenolHCID 200832-OctanolHCID 66835Benzoic acid, 4-hydroxy-3-nitro-, methyl ester

Product 1

HCID 19042592HCID 19042592, compound

Sources & evidence

ORD record
ord-89c1ab0ef1e54b0ead0f0142f5800f86
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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