Potassium Cation → 4-{5-[3-(5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl)-ureido]-pyridin-2-ylamino}-piperidine-1-carboxylic acid tert-butyl ester

HRID 685945Notes

Reaction equation

HRID 685945 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([NH:17][C:18]([OH:19])=[O:20])[n:8](-[c:10]2[cH:11][cH:12][c:13]([CH3:16])[cH:14][cH:15]2)[n:9]1.[C:21]([CH3:22])([CH3:23])([CH3:24])[O:25][C:26](=[O:27])[N:28]1[CH2:29][CH2:30][CH:31]([NH:34][c:35]2[n:36][cH:37][c:38]([NH2:41])[cH:39][cH:40]2)[CH2:32][CH2:33]1.[C:42](=[O:43])([O-:44])[O-:45].[CH3:48][C:49]#[N:50].[K+:46].[K+:47]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([NH:17][C:18](=[O:20])[NH:41][c:38]2[cH:37][n:36][c:35]([NH:34][CH:31]3[CH2:30][CH2:29][N:28]([C:26]([O:25][C:21]([CH3:22])([CH3:23])[CH3:24])=[O:27])[CH2:33][CH2:32]3)[cH:40][cH:39]2)[n:8](-[c:10]2[cH:11][cH:12][c:13]([CH3:16])[cH:14][cH:15]2)[n:9]1

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 22631416[3-Tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamic acidHCID 53255724tert-Butyl 4-(5-aminopyridin-2-ylamino)piperidine-1-carboxylate

Product 1

HCID 685418894-{5-[3-(5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl)-ureido]-pyridin-2-ylamino}-piperidine-1-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-dae68861adda40aa87cceaadfa138e85
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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