Water → 4-Pyridin-3-yl-1-[3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-ol

HRID 111029

Reaction equation

HRID 111029 reaction equation
[CH:28]([N:29]([CH2:30][CH3:31])[CH:32]([CH3:33])[CH3:34])([CH3:35])[CH3:36].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[n:6]([n:7]1)[c:8]([C:11]([F:12])([F:13])[F:14])[n:9][n:10]2.[O:37]=[CH:38][N:39]([CH3:40])[CH3:41].[OH2:42].[n:15]1[cH:16][c:17]([C:21]2([OH:27])[CH2:22][CH2:23][NH:24][CH2:25][CH2:26]2)[cH:18][cH:19][cH:20]1>>[c:2]1([N:24]2[CH2:23][CH2:22][C:21]([c:17]3[cH:16][n:15][cH:20][cH:19][cH:18]3)([OH:27])[CH2:26][CH2:25]2)[cH:3][cH:4][c:5]2[n:6]([n:7]1)[c:8]([C:11]([F:12])([F:13])[F:14])[n:9][n:10]2

Participants

6

Reactant 5

HCID 962WaterHCID 6228DimethylformamideHCID 81531DiisopropylethylamineHCID 6136576-Chloro-3-(trifluoromethyl)-(1,2,4)triazolo(4,3-b)pyridazineHCID 49891674-(Pyridin-3-yl)piperidin-4-ol

Product 1

HCID 441258304-Pyridin-3-yl-1-[3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-ol

Sources & evidence

ORD record
ord-fc60bed471c8466cb45b015df5521c90
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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