Sodium ion → Diclopentezol

HRID 172455

Reaction equation

HRID 172455 reaction equation
[BH4-:1].[CH3:35][N:36]([CH3:37])[CH:38]=[O:39].[Cl:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1.[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.[Na+:2].[OH:24][N+:25](=[O:26])[O-:27]>>[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

7

Reactant 6

HCID 923Sodium ionHCID 944Nitric AcidHCID 6228DimethylformamideHCID 7964ChlorobenzeneHCID 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-4d564e93d4fb4146bbaefafe6825f0ff
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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