Dimethylformamide → N-{5-[Acetyl(methyl)amino]-2-[(tetrahydro-2H-pyran-4-ylmethyl)amino]phenyl}-2,2-difluoropropanamide

HRID 2161537Notes

Reaction equation

HRID 2161537 reaction equation
[CH:52]([N:53]([CH2:54][CH3:55])[CH:56]([CH3:57])[CH3:58])([CH3:59])[CH3:60].[F:45][C:46]([C:47](=[O:48])[OH:49])([CH3:50])[F:51].[NH2:25][c:26]1[cH:27][c:28]([N:40]([C:41]([CH3:42])=[O:43])[CH3:44])[cH:29][cH:30][c:31]1[NH:32][CH2:33][CH:34]1[CH2:35][CH2:36][O:37][CH2:38][CH2:39]1.[O:61]=[CH:62][N:63]([CH3:64])[CH3:65].[P-:1]([F:2])([F:3])([F:4])([F:5])([F:6])[F:7].[n:8]1([O:9][C:10]([N:11]([CH3:12])[CH3:13])=[N+:14]([CH3:15])[CH3:16])[c:17]2[n:18][cH:19][cH:20][cH:21][c:22]2[n:23][n:24]1>>[NH:25]([c:26]1[cH:27][c:28]([N:40]([C:41]([CH3:42])=[O:43])[CH3:44])[cH:29][cH:30][c:31]1[NH:32][CH2:33][CH:34]1[CH2:35][CH2:36][O:37][CH2:38][CH2:39]1)[C:47]([C:46]([F:45])([CH3:50])[F:51])=[O:48]

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 27828252,2-Difluoropropionic acidHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 57441082N-{3-Amino-4-[(tetrahydro-2H-pyran-4-ylmethyl)amino]phenyl}-N-methylacetamide

Product 1

HCID 57441090N-{5-[Acetyl(methyl)amino]-2-[(tetrahydro-2H-pyran-4-ylmethyl)amino]phenyl}-2,2-difluoropropanamide

Sources & evidence

ORD record
ord-a8d6c969d99a48bb9615fdc0e62f1011
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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