Hydrochloric Acid → 3-(2-Fluorophenyl)-6-(2-Methyl-2H-1,2,4-Triazol-3-Ylmethoxy)-7-(3-Oxocyclobutyl)-1,2,4-Triazolo[4,3-b]Pyridazine

HRID 316213Notes

Reaction equation

HRID 316213 reaction equation
[CH3:34][N:35]([CH3:36])[CH:37]=[O:38].[Cl:26][CH2:27][c:28]1[n:29][cH:30][n:31][n:32]1[CH3:33].[ClH:25].[F:3][c:4]1[c:5](-[c:10]2[n:11][n:12][c:13]3[n:14]2[nH:15][c:16](=[O:24])[c:17]([CH:19]2[CH2:20][C:21](=[O:23])[CH2:22]2)[cH:18]3)[cH:6][cH:7][cH:8][cH:9]1.[H-:1].[Na+:2]>>[F:3][c:4]1[c:5](-[c:10]2[n:11][n:12][c:13]3[n:14]2[n:15][c:16]([O:24][CH2:27][c:28]2[n:29][cH:30][n:31][n:32]2[CH3:33])[c:17]([CH:19]2[CH2:20][C:21](=[O:23])[CH2:22]2)[cH:18]3)[cH:6][cH:7][cH:8][cH:9]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 923Sodium ionHCID 6228DimethylformamideHCID 166653HydrideHCID 104192195-(Chloromethyl)-1-methyl-1H-1,2,4-triazoleHCID 226099543-(2-Fluorophenyl)-7-(3-oxocyclobutyl)-1,2,4-triazolo[4,3-b]pyridazin-6-one

Product 1

HCID 226099203-(2-Fluorophenyl)-6-(2-Methyl-2H-1,2,4-Triazol-3-Ylmethoxy)-7-(3-Oxocyclobutyl)-1,2,4-Triazolo[4,3-b]Pyridazine

Sources & evidence

ORD record
ord-a91542e0fe0b4f11967548d3af0a3a13
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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