Sodium ion → Simeconazole

HRID 1568775Notes

Reaction equation

HRID 1568775 reaction equation
[CH3:24][N:25]([CH3:26])[CH:27]=[O:28].[Cl:8][CH2:9][C:10]([CH2:11][Si:12]([CH3:13])([CH3:14])[CH3:15])([OH:16])[c:17]1[cH:18][cH:19][c:20]([F:23])[cH:21][cH:22]1.[H-:1].[Na+:2].[nH:3]1[n:4][cH:5][n:6][cH:7]1>>[n:3]1([CH2:9][C:10]([CH2:11][Si:12]([CH3:13])([CH3:14])[CH3:15])([OH:16])[c:17]2[cH:18][cH:19][c:20]([F:23])[cH:21][cH:22]2)[n:4][cH:5][n:6][cH:7]1

Participants

6

Reactant 5

HCID 923Sodium ionHCID 6228DimethylformamideHCID 92571H-1,2,4-TriazoleHCID 166653HydrideHCID 12097219HCID 12097219, compound

Product 1

HCID 10085783Simeconazole

Sources & evidence

ORD record
ord-782f56f0272947cda42b8659489a6abb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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