Ethanol → Benzyl 5-acetyl-4-(4-cyanophenyl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyridine-3-carboxylate

HRID 945462Notes

Reaction equation

HRID 945462 reaction equation
[C:1]([CH3:2])(=[O:3])[CH:4]([CH:5]([CH:6]([C:7](=[O:8])[O:9][CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[C:17](=[O:18])[NH:19][c:20]1[cH:21][c:22]([C:26]([F:27])([F:28])[F:29])[cH:23][cH:24][cH:25]1)[c:30]1[cH:31][cH:32][c:33]([C:36]#[N:37])[cH:34][cH:35]1)[C:38]([CH3:39])=[O:40].[CH3:47][CH2:48][OH:49].[Mg+2:41].[O-:42][S:43](=[O:44])(=[O:45])[O-:46]>>[C:1]([CH3:2])(=[O:3])[C:4]1=[C:38]([CH3:39])[N:19]([c:20]2[cH:21][c:22]([C:26]([F:27])([F:28])[F:29])[cH:23][cH:24][cH:25]2)[C:17](=[O:18])[CH:6]([C:7](=[O:8])[O:9][CH2:10][c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[CH:5]1[c:30]1[cH:31][cH:32][c:33]([C:36]#[N:37])[cH:34][cH:35]1

Participants

5

Reactant 4

HCID 702EthanolHCID 888Magnesium CationHCID 1117Sulfate IonHCID 59666215Benzyl 4-acetyl-3-(4-cyanophenyl)-5-oxo-2-({[3-(trifluoromethyl)phenyl]amino}carbonyl)hexanoate

Product 1

HCID 59666193Benzyl 5-acetyl-4-(4-cyanophenyl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyridine-3-carboxylate

Sources & evidence

ORD record
ord-bd5298bc3bc5414ea5d9ff4c15182eae
Source dataset
Validation data from https://doi.org/10.1039/C8SC04228D

Reaction notes

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