Water → N-{3-Cyano-4-[4-(5-methylisoxazol-4-ylcarbonyl)piperazin-1-yl]phenyl}-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide

HRID 207491Notes

Reaction equation

HRID 207491 reaction equation
[C:16](#[N:17])[c:18]1[cH:19][c:20]([NH:30][C:31](=[O:32])[c:33]2[cH:34][n:35][n:36](-[c:39]3[cH:40][cH:41][c:42]([F:45])[cH:43][cH:44]3)[c:37]2[CH3:38])[cH:21][cH:22][c:23]1[N:24]1[CH2:25][CH2:26][NH:27][CH2:28][CH2:29]1.[CH3:1][c:2]1[c:3]([C:7](=[O:8])[Cl:9])[cH:4][n:5][o:6]1.[OH2:46].[cH:10]1[cH:11][cH:12][n:13][cH:14][cH:15]1>>[CH3:1][c:2]1[c:3]([C:7](=[O:8])[N:27]2[CH2:26][CH2:25][N:24]([c:23]3[c:18]([C:16]#[N:17])[cH:19][c:20]([NH:30][C:31](=[O:32])[c:33]4[cH:34][n:35][n:36](-[c:39]5[cH:40][cH:41][c:42]([F:45])[cH:43][cH:44]5)[c:37]4[CH3:38])[cH:21][cH:22]3)[CH2:29][CH2:28]2)[cH:4][n:5][o:6]1

Participants

5

Reactant 4

HCID 962WaterHCID 1049PyridineHCID 27599175-Methyl-1,2-oxazole-4-carbonyl chlorideHCID 22227929N-[3-cyano-4-(piperazin-1-yl)phenyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide

Product 1

HCID 22228167N-{3-Cyano-4-[4-(5-methylisoxazol-4-ylcarbonyl)piperazin-1-yl]phenyl}-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide

Sources & evidence

ORD record
ord-f8a36f7d5dcd420f9f85835b7fb7a26d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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