Dimethylformamide → 4-Amino-2-methylsulfanyl-pyrimidine-5-carboxylic acid [2-methyl-5-(3-trifluoromethyl-benzoylamino)-phenyl]-amide

HRID 2153667Notes

Reaction equation

HRID 2153667 reaction equation
[CH3:73][CH2:74][O:75][C:76]([CH3:77])=[O:78].[CH:35]([N:36]([CH2:37][CH3:38])[CH:39]([CH3:40])[CH3:41])([CH3:42])[CH3:43].[NH2:14][c:15]1[cH:16][c:17]([NH:22][C:23]([c:24]2[cH:25][c:26]([C:30]([F:31])([F:32])[F:33])[cH:27][cH:28][cH:29]2)=[O:34])[cH:18][cH:19][c:20]1[CH3:21].[NH2:1][c:2]1[n:3][c:4]([S:11][CH3:12])[n:5][cH:6][c:7]1[C:8](=[O:9])[O-:10].[Na:13].[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>>[NH2:1][c:2]1[n:3][c:4]([S:11][CH3:12])[n:5][cH:6][c:7]1[C:8](=[O:10])[NH:14][c:15]1[cH:16][c:17]([NH:22][C:23]([c:24]2[cH:25][c:26]([C:30]([F:31])([F:32])[F:33])[cH:27][cH:28][cH:29]2)=[O:34])[cH:18][cH:19][c:20]1[CH3:21]

Participants

9

Reactant 8

HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 5360545SodiumHCID 11529455N-(3-amino-4-methylphenyl)-3-(trifluoromethyl)benzamideHCID 225621764-Amino-2-methylsulfanyl-5-pyrimidinecarboxylate

Product 1

HCID 694477274-Amino-2-methylsulfanyl-pyrimidine-5-carboxylic acid [2-methyl-5-(3-trifluoromethyl-benzoylamino)-phenyl]-amide

Sources & evidence

ORD record
ord-ff97e5fafce94136a408b8f2805c52c8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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