1,2-Dichloroethane → Diclopentezol

HRID 2349414Notes

Reaction equation

HRID 2349414 reaction equation
[BH4-:1].[CH3:31][N:32]([CH3:33])[CH:34]=[O:35].[Cl:27][CH2:28][CH2:29][Cl:30].[Cl:5][c:6]1[c:7]([CH:13]=[C:14]([C:15]([C:16]([CH3:17])([CH3:18])[CH3:19])=[O:20])[n:21]2[n:22][cH:23][n:24][cH:25]2)[cH:8][cH:9][c:10]([Cl:12])[cH:11]1.[ClH:26].[H:3][H:4].[Na+:2]>>[Cl:5][c:6]1[c:7]([CH:13]=[C:14]([CH:15]([C:16]([CH3:17])([CH3:18])[CH3:19])[OH:20])[n:21]2[n:22][cH:23][n:24][cH:25]2)[cH:8][cH:9][c:10]([Cl:12])[cH:11]1

Participants

8

Reactant 7

HCID 111,2-DichloroethaneHCID 313Hydrochloric AcidHCID 923Sodium ionHCID 6228DimethylformamideHCID 28123BorohydrideHCID 540307821-(2,4-Dichlorophenyl)-2-(1,2,4-triazol-1-yl)-4,4-dimethyl1-penten-3-oneHCID 178418361HCID 178418361, compound

Product 1

HCID 91738Diclopentezol

Sources & evidence

ORD record
ord-a28dd86e31864f129d090e6173d2655d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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