1,2-Dichloroethane → Diclopentezol

HRID 94365Notes

Reaction equation

HRID 94365 reaction equation
[BH4-:1].[CH3:26][N:27]([CH3:28])[CH:29]=[O:30].[Cl:31][CH2:32][CH2:33][Cl:34].[Cl:3][c:4]1[c:5]([CH:11]=[C:12]([C:13]([C:14]([CH3:15])([CH3:16])[CH3:17])=[O:18])[n:19]2[n:20][cH:21][n:22][cH:23]2)[cH:6][cH:7][c:8]([Cl:10])[cH:9]1.[ClH:24].[Na+:2].[OH2:25]>>[Cl:3][c:4]1[c:5]([CH:11]=[C:12]([CH:13]([C:14]([CH3:15])([CH3:16])[CH3:17])[OH:18])[n:19]2[n:20][cH:21][n:22][cH:23]2)[cH:6][cH:7][c:8]([Cl:10])[cH:9]1

Participants

8

Reactant 7

HCID 111,2-DichloroethaneHCID 313Hydrochloric AcidHCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 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-b5c55c3b09d7428a85d42c873dc3155f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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