Dimethylformamide → {4-[4-(2-tert-Butyl-6-cyclobutyl-pyrimidin-4-yl)-piperazin-1-yl]-4-oxo-butyl}-methyl-carbamic acid tert-butyl ester

HRID 309713

Reaction equation

HRID 309713 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH2:9][CH2:10][CH2:11][C:12](=[O:13])[OH:14])[CH3:15].[C:33]([CH3:34])([CH3:35])([CH3:36])[c:37]1[n:38][c:39]([CH:49]2[CH2:50][CH2:51][CH2:52]2)[cH:40][c:41]([N:43]2[CH2:44][CH2:45][NH:46][CH2:47][CH2:48]2)[n:42]1.[CH3:16][CH2:17][N:18]([CH2:19][CH3:20])[CH2:21][CH3:22].[CH3:53][N:54]([CH3:55])[CH:56]=[O:57].[OH:23][c:24]1[c:25]2[n:26][n:27][nH:28][c:29]2[cH:30][cH:31][cH:32]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH2:9][CH2:10][CH2:11][C:12](=[O:14])[N:46]1[CH2:45][CH2:44][N:43]([c:41]2[cH:40][c:39]([CH:49]3[CH2:50][CH2:51][CH2:52]3)[n:38][c:37]([C:33]([CH3:34])([CH3:35])[CH3:36])[n:42]2)[CH2:48][CH2:47]1)[CH3:15]

Participants

6

Reactant 5

HCID 6228DimethylformamideHCID 8471TriethylamineHCID 106563904-{[(Tert-butoxy)carbonyl](methyl)amino}butanoic acidHCID 666733902-tert-Butyl-4-cyclobutyl-6-(piperazin-1-yl)pyrimidineHCID 178418300HCID 178418300, compound

Product 1

HCID 69026620{4-[4-(2-tert-Butyl-6-cyclobutyl-pyrimidin-4-yl)-piperazin-1-yl]-4-oxo-butyl}-methyl-carbamic acid tert-butyl ester

Sources & evidence

ORD record
ord-bcc7f71c6256408484195daf8ec84bf9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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