Dimethylformamide → 5-amino-1-(4-fluorophenyl)-N-[3,3,3-trifluoro-2-hydroxy-2-(hydroxymethyl)propyl]-1H-pyrazole-4-carboxamide

HRID 190163Notes

Reaction equation

HRID 190163 reaction equation
[CH3:60][N:61]([CH3:62])[CH:63]=[O:64].[CH:17]([N:18]([CH:19]([CH3:20])[CH3:21])[CH2:22][CH3:23])([CH3:24])[CH3:25].[NH2:1][c:2]1[c:3]([C:14](=[O:15])[OH:16])[cH:4][n:5][n:6]1-[c:7]1[cH:8][cH:9][c:10]([F:13])[cH:11][cH:12]1.[NH2:50][CH2:51][C:52]([CH2:53][OH:54])([C:55]([F:56])([F:57])[F:58])[OH:59].[P-:26]([F:27])([F:28])([F:29])([F:30])([F:31])[F:32].[n:33]1([O:34][C:35]([N:36]([CH3:37])[CH3:38])=[N+:39]([CH3:40])[CH3:41])[c:42]2[n:43][cH:44][cH:45][cH:46][c:47]2[n:48][n:49]1>>[NH2:1][c:2]1[c:3]([C:14](=[O:16])[NH:50][CH2:51][C:52]([CH2:53][OH:54])([C:55]([F:56])([F:57])[F:58])[OH:59])[cH:4][n:5][n:6]1-[c:7]1[cH:8][cH:9][c:10]([F:13])[cH:11][cH:12]1

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 52068325-amino-1-(4-fluorophenyl)-1H-pyrazole-4-carboxylic acidHCID 248097501,2-Propanediol, 2-(aminomethyl)-3,3,3-trifluoro-

Product 1

HCID 591872265-amino-1-(4-fluorophenyl)-N-[3,3,3-trifluoro-2-hydroxy-2-(hydroxymethyl)propyl]-1H-pyrazole-4-carboxamide

Sources & evidence

ORD record
ord-3d575ad409e844b3b661a22f14aa54b0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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