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Acetate → 3-{[1-(5-fluoro-2-methylphenyl)-3-methyl-4-phenyl-1H-pyrazol-5-yl]amino}isonicotinic acid

HRID 293771
Notes
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Reaction equation

HRID 293771 reaction equation
[C:11](=[O:12])([O-:13])[O-:14].[C:55]([O-:56])(=[O:57])[CH3:58].[C:60]([O-:61])(=[O:62])[CH3:63].[Cu+2:59].[F:17][c:18]1[cH:19][cH:20][c:21]([CH3:37])[c:22](-[n:24]2[n:25][c:26]([CH3:36])[c:27](-[c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)[c:28]2[NH2:29])[cH:23]1.[I:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][cH:8][n:9][cH:10]1.[K+:15].[K+:16].[O:50]=[CH:51][N:52]([CH3:53])[CH3:54].[c:38]1([CH:39]([C:40]([CH3:41])=[O:42])[C:43]#[N:44])[cH:45][cH:46][cH:47][cH:48][cH:49]1>>[c:2]1([NH:29][c:28]2[n:24](-[c:22]3[c:21]([CH3:37])[cH:20][cH:19][c:18]([F:17])[cH:23]3)[n:25][c:26]([CH3:36])[c:27]2-[c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[c:3]([C:4](=[O:5])[OH:6])[cH:7][cH:8][n:9][cH:10]1
ParticipantsSources & evidenceReaction notes

Participants

9

Reactant 8

HCID 175Acetate2×HCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 20547Alpha-phenylacetoacetonitrileHCID 27099Cupric cationHCID 6192753-Iodopyridine-4-carboxylic acid
HCID 688197371-(5-fluoro-2-methylphenyl)-3-methyl-4-phenyl-1H-pyrazol-5-amine

Product 1

HCID 441934293-{[1-(5-fluoro-2-methylphenyl)-3-methyl-4-phenyl-1H-pyrazol-5-yl]amino}isonicotinic acid

Sources & evidence

ORD record
ord-89ed726e1e9b48779b55ff38dfdc9abb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes