Ammonium → 3-(2-fluorophenyl)-7-(1-hydroxycyclobutyl)-6-(2-methyl-2H-1,2,4-triazol-3-ylmethoxy)-1,2,4-triazolo[4,3-b]pyridazine

HRID 691742Notes

Reaction equation

HRID 691742 reaction equation
[CH3:1][n:2]1[n:3][cH:4][n:5][c:6]1[CH2:7][OH:8].[Cl-:33].[Cl-:35].[Cl:11][c:12]1[c:13]([C:28]2([OH:32])[CH2:29][CH2:30][CH2:31]2)[cH:14][c:15]2[n:16]([n:17]1)[c:18](-[c:21]1[c:22]([F:27])[cH:23][cH:24][cH:25][cH:26]1)[n:19][n:20]2.[Cl:42][CH2:43][Cl:44].[H-:9].[NH4+:34].[Na+:10].[Na+:36].[O:37]=[CH:38][N:39]([CH3:40])[CH3:41]>>[CH3:1][n:2]1[n:3][cH:4][n:5][c:6]1[CH2:7][O:8][c:12]1[c:13]([C:28]2([OH:32])[CH2:29][CH2:30][CH2:31]2)[cH:14][c:15]2[n:16]([n:17]1)[c:18](-[c:21]1[c:22]([F:27])[cH:23][cH:24][cH:25][cH:26]1)[n:19][n:20]2

Participants

9

Reactant 8

HCID 223AmmoniumHCID 312Chloride2×HCID 923Sodium ion2×HCID 6228DimethylformamideHCID 6344DichloromethaneHCID 166653HydrideHCID 11073377(1-methyl-1H-1,2,4-triazol-5-yl)methanolHCID 226099106-Chloro-3-(2-fluorophenyl)-7-(1-hydroxycyclobutyl)-1,2,4-triazolo[4,3-b]pyridazine

Product 1

HCID 226099353-(2-fluorophenyl)-7-(1-hydroxycyclobutyl)-6-(2-methyl-2H-1,2,4-triazol-3-ylmethoxy)-1,2,4-triazolo[4,3-b]pyridazine

Sources & evidence

ORD record
ord-2fce20a5e1fa46aea8c896cb5d8d4f24
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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