Dimethyl Sulfoxide → 4-(2,4-Dichlorophenyl)-4-hydroxy-5-(1,2,4-triazol-1-yl)-hex-2-yne

HRID 94344Notes

Reaction equation

HRID 94344 reaction equation
[Br:8][CH:9]([C:10]([C:11]#[C:12][CH3:13])([OH:14])[c:15]1[c:16]([Cl:22])[cH:17][c:18]([Cl:21])[cH:19][cH:20]1)[CH3:23].[CH3:24][S:25]([CH3:26])=[O:27].[H-:1].[Na+:2].[nH:3]1[n:4][cH:5][n:6][cH:7]1>>[n:3]1([CH:9]([C:10]([C:11]#[C:12][CH3:13])([OH:14])[c:15]2[c:16]([Cl:22])[cH:17][c:18]([Cl:21])[cH:19][cH:20]2)[CH3:23])[n:4][cH:5][n:6][cH:7]1

Participants

6

Reactant 5

HCID 679Dimethyl SulfoxideHCID 923Sodium ionHCID 92571H-1,2,4-TriazoleHCID 166653HydrideHCID 198466985-Bromo-4-(2,4-dichlorophenyl)-4-hydroxy-hex-2-yne

Product 1

HCID 137486954-(2,4-Dichlorophenyl)-4-hydroxy-5-(1,2,4-triazol-1-yl)-hex-2-yne

Sources & evidence

ORD record
ord-fd03b6baa5454ffda8506a737e3d3f09
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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