Potassium Cation → 1-(4-Chlorophenyl)-N-[3-cyano-4-(4-thiomorpholinopiperidin-1-yl) phenyl]-5-methylpyrazole-4-carboxamide

HRID 124686Notes

Reaction equation

HRID 124686 reaction equation
[C:38](=[O:39])([O-:40])[O-:41].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][cH:10][c:11]([C:14](=[O:15])[Cl:16])[c:12]2[CH3:13])[cH:6][cH:7]1.[K+:42].[K+:43].[NH2:17][c:18]1[cH:19][cH:20][c:21]([N:26]2[CH2:27][CH2:28][CH:29]([N:32]3[CH2:33][CH2:34][S:35][CH2:36][CH2:37]3)[CH2:30][CH2:31]2)[c:22]([C:23]#[N:24])[cH:25]1.[cH:44]1[cH:45][cH:46][n:47][cH:48][cH:49]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][cH:10][c:11]([C:14](=[O:15])[NH:17][c:18]3[cH:19][cH:20][c:21]([N:26]4[CH2:27][CH2:28][CH:29]([N:32]5[CH2:33][CH2:34][S: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

6

Reactant 5

HCID 813Potassium Cation2×HCID 1049PyridineHCID 19660Carbonate IonHCID 27761281-(4-chlorophenyl)-5-methyl-1H-pyrazole-4-carbonyl chlorideHCID 222278795-Amino-2-(4-thiomorpholinopiperidin-1-yl)benzonitrile

Product 1

HCID 222280341-(4-Chlorophenyl)-N-[3-cyano-4-(4-thiomorpholinopiperidin-1-yl) phenyl]-5-methylpyrazole-4-carboxamide

Sources & evidence

ORD record
ord-03ec824ac7dd4a73b9413a046d0ce628
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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