Chloride → 3-cyclopentyl-N-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)pyrazin-2-yl]-2-[4-(trifluoromethyl)imidazol-1-yl]propanamide

HRID 2129953Notes

Reaction equation

HRID 2129953 reaction equation
[CH3:26][C:27]1([CH3:39])[O:28][CH2:29][CH:30]([c:32]2[n:33][cH:34][c:35]([NH2:38])[n:36][cH:37]2)[O:31]1.[CH3:51][N:52]([CH3:53])[CH:54]=[O:55].[CH:1]1([CH2:6][CH:7]([C:8](=[O:9])[OH:10])[n:11]2[cH:12][n:13][c:14]([C:16]([F:17])([F:18])[F:19])[cH:15]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[Cl-:46].[Cl:20][C:21]([C:22]([Cl:23])=[O:24])=[O:25].[Cl:47][CH2:48][Cl:49].[ClH:50].[cH:40]1[cH:41][cH:42][n:43][cH:44][cH:45]1>>[CH:1]1([CH2:6][CH:7]([C:8](=[O:10])[NH:38][c:35]2[cH:34][n:33][c:32]([CH:30]3[CH2:29][O:28][C:27]([CH3:26])([CH3:39])[O:31]3)[cH:37][n:36]2)[n:11]2[cH:12][n:13][c:14]([C:16]([F:17])([F:18])[F:19])[cH:15]2)[CH2:2][CH2:3][CH2:4][CH2:5]1

Participants

9

Reactant 8

HCID 312ChlorideHCID 313Hydrochloric AcidHCID 1049PyridineHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 65578Oxalyl chlorideHCID 218973045-(2,2-Dimethyl-1,3-dioxolan-4-yl)pyrazin-2-amineHCID 686104573-Cyclopentyl-2-[4-(trifluoromethyl)imidazol-1-yl]propanoic acid

Product 1

HCID 673144743-cyclopentyl-N-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)pyrazin-2-yl]-2-[4-(trifluoromethyl)imidazol-1-yl]propanamide

Sources & evidence

ORD record
ord-7e6409d91dae4f399294b7dbc2fc1897
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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