Sodium ion → 7-(Tert-butyl)-3-(2,6-difluorophenyl)-6-((1-ethyl-1h-1,2,4-triazol-5-yl)methoxy)-[1,2,4]triazolo[4,3-b]pyridazine

HRID 102875Notes

Reaction equation

HRID 102875 reaction equation
[CH2:23]([CH3:24])[n:25]1[n:26][cH:27][n:28][c:29]1[CH2:30][OH:31].[Cl:1][c:2]1[c:3]([C:19]([CH3:20])([CH3:21])[CH3:22])[cH:4][c:5]2[n:6]([n:7]1)[c:8](-[c:11]1[c:12]([F:18])[cH:13][cH:14][cH:15][c:16]1[F:17])[n:9][n:10]2.[H-:32].[Na+:33].[O:34]=[CH:35][N:36]([CH3:37])[CH3:38]>>[c:2]1([O:31][CH2:30][c:29]2[n:25]([CH2:23][CH3:24])[n:26][cH:27][n:28]2)[c:3]([C:19]([CH3:20])([CH3:21])[CH3:22])[cH:4][c:5]2[n:6]([n:7]1)[c:8](-[c:11]1[c:12]([F:18])[cH:13][cH:14][cH:15][c:16]1[F:17])[n:9][n:10]2

Participants

6

Reactant 5

HCID 923Sodium ionHCID 6228DimethylformamideHCID 166653HydrideHCID 11412385(1-ethyl-1H-1,2,4-triazol-5-yl)methanolHCID 183724156-Chloro-3-(2,6-difluorophenyl)-7-(1,1-dimethylethyl)-1,2,4-triazolo[4,3-b]pyridazine

Product 1

HCID 98879547-(Tert-butyl)-3-(2,6-difluorophenyl)-6-((1-ethyl-1h-1,2,4-triazol-5-yl)methoxy)-[1,2,4]triazolo[4,3-b]pyridazine

Sources & evidence

ORD record
ord-7467231691b348dab42a4ee649a0dafc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

Loading…