Ammonium → 2,2,3-Trimethyl-4-(1,2,4-triazol-1-yl)-6-phenoxy-hexan-3-ol

Reaction equation

[Br-:22].[CH3:1][C:2]([CH3:3])([C:4]([CH:5]([CH2:6][CH2:7][O:8][c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)[n:15]1[n:16][cH:17][n:18][cH:19]1)=[O:20])[CH3:21].[CH3:23][Mg+:24].[Cl-:25].[NH4+:26].[O:27]1[CH2:28][CH2:29][CH2:30][CH2:31]1>>[CH3:1][C:2]([CH3:3])([C:4]([CH:5]([CH2:6][CH2:7][O:8][c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)[n:15]1[n:16][cH:17][n:18][cH:19]1)([OH:20])[CH3:23])[CH3:21]

Participants

Reactant 6

HCID 223Ammonium

HCID 259Bromide ion

HCID 312Chloride

HCID 8028Tetrahydrofuran

HCID 128066802,2-Dimethyl-4-(1,2,4-triazol-1-yl)-6-phenoxy-hexan-3-one

HCID 178477777HCID 178477777, compound

Product 1

HCID 205041962,2,3-Trimethyl-4-(1,2,4-triazol-1-yl)-6-phenoxy-hexan-3-ol

Sources & evidence

ORD record: ord-474e5dd6c7fb4b62af34e91abf5bfde8
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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