Sodium ion → 5-(2-Methylcyclohexyl)-3-(2-butynyloxy)-1,2,4-thiadiazole

HRID 163020Notes

Reaction equation

HRID 163020 reaction equation
[CH2:17]([C:18]#[C:19][CH3:20])[OH:21].[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[n:6][s:7][c:8]([CH:10]2[CH:11]([CH3:16])[CH2:12][CH2:13][CH2:14][CH2:15]2)[n:9]1.[CH3:24][N:25]([CH3:26])[CH:27]=[O:28].[H-:22].[Na+:23]>>[c:5]1([O:21][CH2:17][C:18]#[C:19][CH3:20])[n:6][s:7][c:8]([CH:10]2[CH:11]([CH3:16])[CH2:12][CH2:13][CH2:14][CH2:15]2)[n:9]1

Participants

6

Reactant 5

HCID 923Sodium ionHCID 6228DimethylformamideHCID 129912-Butyn-1-olHCID 166653HydrideHCID 690272813-Methylsulfonyl-5-(2-methylcyclohexyl)-1,2,4-thiadiazole

Product 1

HCID 586104275-(2-Methylcyclohexyl)-3-(2-butynyloxy)-1,2,4-thiadiazole

Sources & evidence

ORD record
ord-fb1880c7edc9486cbfe1d033d92ef106
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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