Acetic Acid → 4-(4-methyl-1-phenyl-1H-pyrazol-3-ylamino)phenol

Reaction equation

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

Participants

Reactant 6

HCID 176Acetic Acid

HCID 260Hydrogen Bromide

HCID 923Sodium Ion

HCID 961Hydroxide

HCID 962Water

HCID 21272310N-(4-Methoxyphenyl)-4-methyl-1-phenyl-1H-pyrazol-3-amine

Product 1

HCID 668633924-(4-methyl-1-phenyl-1H-pyrazol-3-ylamino)phenol

Sources & evidence

ORD record: ord-ec70c80a01fa41329be708bc811eaa3d
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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