Dimethylformamide → 4-({[(3-Fluoro-4-methylphenyl)amino]carbonyl}amino)-1-methyl-N-(pyridin-3-ylmethyl)-1H-imidazole-2-carboxamide

HRID 2322264Notes

Reaction equation

HRID 2322264 reaction equation
[CH3:1][c:2]1[c:3]([F:21])[cH:4][c:5]([NH:8][C:9](=[O:10])[NH:11][c:12]2[n:13][c:14]([C:18](=[O:19])[OH:20])[n:15]([CH3:17])[cH:16]2)[cH:6][cH:7]1.[CH3:59][N:60]([c:61]1[cH:62][cH:63][n:64][cH:65][cH:66]1)[CH3:67].[O:54]=[CH:55][N:56]([CH3:57])[CH3:58].[P-:22]([F:23])([F:24])([F:25])([F:26])([F:27])[F:28].[n:29]1([O:30][C:31]([N:32]([CH3:33])[CH3:34])=[N+:35]([CH3:36])[CH3:37])[c:38]2[n:39][cH:40][cH:41][cH:42][c:43]2[n:44][n:45]1.[n:46]1[cH:47][c:48]([CH2:52][NH2:53])[cH:49][cH:50][cH:51]1>>[CH3:1][c:2]1[c:3]([F:21])[cH:4][c:5]([NH:8][C:9](=[O:10])[NH:11][c:12]2[n:13][c:14]([C:18](=[O:20])[NH:53][CH2:52][c:48]3[cH:47][n:46][cH:51][cH:50][cH:49]3)[n:15]([CH3:17])[cH:16]2)[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 142844-(Dimethylamino)pyridineHCID 310183-PyridinemethanamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 594217444-({[(4-Methyl-3-fluorophenyl)amino]carbonyl}amino)-1-methyl-1H-imidazole-2-carboxylic Acid

Product 1

HCID 594217604-({[(3-Fluoro-4-methylphenyl)amino]carbonyl}amino)-1-methyl-N-(pyridin-3-ylmethyl)-1H-imidazole-2-carboxamide

Sources & evidence

ORD record
ord-c950da95162e45948a032ee1b1cc3a75
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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