Dimethylformamide → 3-cyclopentyl-2-(4-methanesulfonyl-3-trifluoromethyl-phenyl)-N-(2-oxo-2,3-dihydro-pyrimidin-4-yl)-propionamide

HRID 198882Notes

Reaction equation

HRID 198882 reaction equation
[CH2:48]([Cl:49])[Cl:50].[CH3:56][N:57]([CH3:58])[CH:59]=[O:60].[CH:1]1([CH2:6][CH:7]([C:8](=[O:9])[OH:10])[c:11]2[cH:12][c:13]([C:21]([F:22])([F:23])[F:24])[c:14]([S:17](=[O:18])(=[O:19])[CH3:20])[cH:15][cH:16]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[CH:39]([N:40]([CH2:41][CH3:42])[CH:43]([CH3:44])[CH3:45])([CH3:46])[CH3:47].[Cl:25][C:26]([C:27]([Cl:28])=[O:29])=[O:30].[NH2:31][c:32]1[cH:33][cH:34][nH:35][c:36](=[O:37])[n:38]1.[O:51]1[CH2:52][CH2:53][CH2:54][CH2:55]1>>[CH:1]1([CH2:6][CH:7]([C:8](=[O:9])[NH:31][c:32]2[cH:33][cH:34][n:35][c:36](=[O:37])[nH:38]2)[c:11]2[cH:12][c:13]([C:21]([F:22])([F:23])[F:24])[c:14]([S:17](=[O:18])(=[O:19])[CH3:20])[cH:15][cH:16]2)[CH2:2][CH2:3][CH2:4][CH2:5]1

Participants

8

Reactant 7

HCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 65578Oxalyl chlorideHCID 81531DiisopropylethylamineHCID 120695043-Cyclopentyl-2-(4-methanesulfonyl-3-trifluoromethyl-phenyl)-propionic acidHCID 178418229Cytosine

Product 1

HCID 223153053-cyclopentyl-2-(4-methanesulfonyl-3-trifluoromethyl-phenyl)-N-(2-oxo-2,3-dihydro-pyrimidin-4-yl)-propionamide

Sources & evidence

ORD record
ord-844bc10ed237490db5931ef6c2cf6d07
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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