Methanol → Diclopentezol

HRID 1216615

Reaction equation

HRID 1216615 reaction equation
[BH4-:22].[CH3:24][OH:25].[Cl:1][c:2]1[c:3]([CH:9]=[C:10]([C:11]([C:12]([CH3:13])([CH3:14])[CH3:15])=[O:16])[n:17]2[n:18][cH:19][n:20][cH:21]2)[cH:4][cH:5][c:6]([Cl:8])[cH:7]1.[Na+:23]>>[Cl:1][c:2]1[c:3]([CH:9]=[C:10]([CH:11]([C:12]([CH3:13])([CH3:14])[CH3:15])[OH:16])[n:17]2[n:18][cH:19][n:20][cH:21]2)[cH:4][cH:5][c:6]([Cl:8])[cH:7]1

Participants

5

Reactant 4

HCID 887MethanolHCID 923Sodium ionHCID 28123BorohydrideHCID 540307821-(2,4-Dichlorophenyl)-2-(1,2,4-triazol-1-yl)-4,4-dimethyl1-penten-3-one

Product 1

HCID 91738Diclopentezol

Sources & evidence

ORD record
ord-69816e78148c449989416b8625f1dc9c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Linked notes

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