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

HRID 214276Notes

Reaction equation

HRID 214276 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][cH:16][c:17]([NH2:20])[cH:18][cH:19]2)[CH2:12][CH2:13]1.[C:30]([CH3:31])([CH3:32])([CH3:33])[c:34]1[cH:35][c:36]([NH:46][C:47]([OH:48])=[O:49])[n:37](-[c:39]2[cH:40][cH:41][c:42]([CH3:45])[cH:43][cH:44]2)[n:38]1.[CH3:50][CH2:51][O:52][C:53]([CH3:54])=[O:55].[CH3:56][S:57]([CH3:58])=[O:59].[CH:21]([N:22]([CH:23]([CH3:24])[CH3:25])[CH2:26][CH3:27])([CH3:28])[CH3:29].[OH2:60]>>[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][cH:16][c:17]([NH:20][C:47]([NH:46][c:36]3[cH:35][c:34]([C:30]([CH3:31])([CH3:32])[CH3:33])[n:38][n:37]3-[c:39]3[cH:40][cH:41][c:42]([CH3:45])[cH:43][cH:44]3)=[O:48])[cH:18][cH:19]2)[CH2:12][CH2:13]1

Participants

7

Reactant 6

HCID 679Dimethyl SulfoxideHCID 962WaterHCID 8857Ethyl AcetateHCID 81531DiisopropylethylamineHCID 17999304tert-Butyl 4-(5-aminopyridin-2-yl)piperazine-1-carboxylateHCID 22631416[3-Tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamic acid

Product 1

HCID 685419004-{5-[3-(5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl)-ureido]-pyridin-2-yl}-piperazine-1-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-b7005f98e2314f13a95ae66b93d090f4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…