Dimethyl Sulfoxide → 4-{5-[3-(5-tert-Butyl-2-p-tolyl-2H-pyrazol-3-yl)-ureido]-6-methyl-pyridin-2-yl}-piperazine-1-carboxylic acid tert-butyl ester

HRID 187851Notes

Reaction equation

HRID 187851 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[n:15][c:16]([CH3:21])[c:17]([NH2:20])[cH:18][cH:19]2)[CH2:12][CH2:13]1.[C:22]([CH3:23])([CH3:24])([CH3:25])[c:26]1[cH:27][c:28]([NH:38][C:39]([OH:40])=[O:41])[n:29](-[c:31]2[cH:32][cH:33][c:34]([CH3:37])[cH:35][cH:36]2)[n:30]1.[CH3:51][CH2:52][O:53][CH2:54][CH3:55].[CH3:56][S:57]([CH3:58])=[O:59].[CH:42]([N:43]([CH2:44][CH3:45])[CH:46]([CH3:47])[CH3:48])([CH3:49])[CH3:50]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[n:15][c:16]([CH3:21])[c:17]([NH:20][C:39]([NH:38][c:28]3[cH:27][c:26]([C:22]([CH3:23])([CH3:24])[CH3:25])[n:30][n:29]3-[c:31]3[cH:32][cH:33][c:34]([CH3:37])[cH:35][cH:36]3)=[O:40])[cH:18][cH:19]2)[CH2:12][CH2:13]1

Participants

6

Reactant 5

HCID 679Dimethyl SulfoxideHCID 3283Diethyl EtherHCID 81531DiisopropylethylamineHCID 22631416[3-Tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamic acidHCID 591344511-Boc-4-(5-amino-6-methyl-2-pyridinyl)piperazine

Product 1

HCID 685368704-{5-[3-(5-tert-Butyl-2-p-tolyl-2H-pyrazol-3-yl)-ureido]-6-methyl-pyridin-2-yl}-piperazine-1-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-fe238e311539409cbc507ef66cae5528
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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