1-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxylic acid → N-{3-Cyano-4-[4-(3,4,5,6-tetrahydro-2H-pyran-4-yl)piperazin-1-yl]phenyl}-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide

HRID 1568314Notes

Reaction equation

HRID 1568314 reaction equation
[F:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][cH:10][c:11]([C:14](=[O:15])[OH:16])[c:12]2[CH3:13])[cH:6][cH:7]1.[NH2:17][c:18]1[cH:19][cH:20][c:21]([N:26]2[CH2:27][CH2:28][N:29]([CH:32]3[CH2:33][CH2:34][O:35][CH2:36][CH2:37]3)[CH2:30][CH2:31]2)[c:22]([C:23]#[N:24])[cH:25]1>>[F:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][cH:10][c:11]([C:14](=[O:16])[NH:17][c:18]3[cH:19][cH:20][c:21]([N:26]4[CH2:27][CH2:28][N:29]([CH:32]5[CH2:33][CH2:34][O:35][CH2:36][CH2:37]5)[CH2:30][CH2:31]4)[c:22]([C:23]#[N:24])[cH:25]3)[c:12]2[CH3:13])[cH:6][cH:7]1

Participants

3

Reactant 2

HCID 42702631-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxylic acidHCID 219423235-amino-2-[4-(3,4,5,6-tetrahydro-2H-pyran-4-yl)piperazin-1-yl]benzonitrile

Product 1

HCID 22228015N-{3-Cyano-4-[4-(3,4,5,6-tetrahydro-2H-pyran-4-yl)piperazin-1-yl]phenyl}-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide

Sources & evidence

ORD record
ord-ddf962dd804e4dc18c7922def48de275
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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