Dimethylformamide → N-(2-hydroxyethyl)-N-methyl-4-[[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]oxy]benzamide

HRID 1551831Notes

Reaction equation

HRID 1551831 reaction equation
[CH3:39][NH:40][CH2:41][CH2:42][OH:43].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[F:10][C:11]([c:12]1[n:13][n:14][c:15]2[n:16]1[n:17][c:18]([N:21]1[CH2:22][CH2:23][CH:24]([O:27][c:28]3[cH:29][cH:30][c:31]([C:32](=[O:33])[OH:34])[cH:35][cH:36]3)[CH2:25][CH2:26]1)[cH:19][cH:20]2)([F:37])[F:38].[O:68]=[CH:69][N:70]([CH3:71])[CH3:72].[P-:44]([F:45])([F:46])([F:47])([F:48])([F:49])[F:50].[n:51]1([O:52][C:53]([N:54]([CH3:55])[CH3:56])=[N+:57]([CH3:58])[CH3:59])[c:60]2[n:61][cH:62][cH:63][cH:64][c:65]2[n:66][n:67]1>>[F:10][C:11]([c:12]1[n:13][n:14][c:15]2[n:16]1[n:17][c:18]([N:21]1[CH2:22][CH2:23][CH:24]([O:27][c:28]3[cH:29][cH:30][c:31]([C:32](=[O:33])[N:40]([CH3:39])[CH2:41][CH2:42][OH:43])[cH:35][cH:36]3)[CH2:25][CH2:26]1)[cH:19][cH:20]2)([F:37])[F:38]

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 80162-(Methylamino)ethanolHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 673405034-[[1-[3-(Trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]oxy]benzoic acid

Product 1

HCID 59149747N-(2-hydroxyethyl)-N-methyl-4-[[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]oxy]benzamide

Sources & evidence

ORD record
ord-bd83a462bb154198aa51da4e52b813a3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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