Tetrahydrofuran → (3,3-dimethyl-1,3-dihydroisobenzofuran-5-yl)(2-methyl-5-phenyl-2H-1,2,4-triazol-3-yl)methanol

HRID 2155227Notes

Reaction equation

HRID 2155227 reaction equation
[Br:6][c:7]1[cH:8][cH:9][c:10]2[c:14]([cH:15]1)[C:13]([CH3:16])([CH3:17])[O:12][CH2:11]2.[CH2:32]1[O:33][CH2:34][CH2:35][CH2:36]1.[CH3:18][n:19]1[n:20][c:21](-[c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[n:22][c:23]1[CH:24]=[O:25].[CH3:1][CH2:2][CH2:3][CH2:4][Li:5]>>[c:7]1([CH:24]([c:23]2[n:19]([CH3:18])[n:20][c:21](-[c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[n:22]2)[OH:25])[cH:8][cH:9][c:10]2[c:14]([cH:15]1)[C:13]([CH3:16])([CH3:17])[O:12][CH2:11]2

Participants

5

Reactant 4

HCID 8028TetrahydrofuranHCID 132241431-Methyl-3-phenyl-1H-1,2,4-triazole-5-carbaldehydeHCID 578038426-Bromo-1,1-dimethyl-1,3-dihydro-2-benzofuranHCID 178418339Butyllithium

Product 1

HCID 57803864(3,3-dimethyl-1,3-dihydroisobenzofuran-5-yl)(2-methyl-5-phenyl-2H-1,2,4-triazol-3-yl)methanol

Sources & evidence

ORD record
ord-053425d2250e49528d826eec63c99475
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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