Hydrogen Bromide → Itraconazole Hydroxy Isopropyltriazolone Impurity

HRID 697039Notes

Reaction equation

HRID 697039 reaction equation
[BrH:30].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([N:9]2[CH2:10][CH2:11][N:12]([c:15]3[cH:16][cH:17][c:18](-[n:21]4[c:22](=[O:29])[n:23]([CH:26]([CH3:27])[CH3:28])[n:24][cH:25]4)[cH:19][cH:20]3)[CH2:13][CH2:14]2)[cH:7][cH:8]1.[OH2:31]>>[OH:2][c:3]1[cH:4][cH:5][c:6]([N:9]2[CH2:10][CH2:11][N:12]([c:15]3[cH:16][cH:17][c:18](-[n:21]4[c:22](=[O:29])[n:23]([CH:26]([CH3:27])[CH3:28])[n:24][cH:25]4)[cH:19][cH:20]3)[CH2:13][CH2:14]2)[cH:7][cH:8]1

Participants

4

Reactant 3

HCID 260Hydrogen BromideHCID 962WaterHCID 148553502,4-dihydro-4-[4-[4-(4-methoxyphenyl)-1-piperazinyl]phenyl]-2-(1-methylethyl)-3H-1,2,4-triazol-3-one

Product 1

HCID 14855351Itraconazole Hydroxy Isopropyltriazolone Impurity

Sources & evidence

ORD record
ord-23862c270dd74bd6bc4b55a9776c79f0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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