Potassium Cation → Methyl 5-{[6-(4-cyanophenyl)-5-(cyclopropylcarbonyl)-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]-3,6-dihydropyrimidin-1(2H)-yl]methyl}-2-furoate

HRID 2337846Notes

Reaction equation

HRID 2337846 reaction equation
[C:32](=[O:33])([O-:34])[O-:35].[CH3:49][N:50]([CH3:51])[CH:52]=[O:53].[CH3:54][OH:55].[CH:1]1([C:4](=[O:5])[C:6]2=[C:11]([CH3:12])[N:10]([c:13]3[cH:14][c:15]([C:19]([F:20])([F:21])[F:22])[cH:16][cH:17][cH:18]3)[C:9](=[O:23])[NH:8][CH:7]2[c:24]2[cH:25][cH:26][c:27]([C:28]#[N:29])[cH:30][cH:31]2)[CH2:2][CH2:3]1.[Cl:38][CH2:39][c:40]1[cH:41][cH:42][c:43]([C:45](=[O:46])[O:47][CH3:48])[o:44]1.[K+:36].[K+:37]>>[CH:1]1([C:4](=[O:5])[C:6]2=[C:11]([CH3:12])[N:10]([c:13]3[cH:14][c:15]([C:19]([F:20])([F:21])[F:22])[cH:16][cH:17][cH:18]3)[C:9](=[O:23])[N:8]([CH2:39][c:40]3[cH:41][cH:42][c:43]([C:45](=[O:46])[O:47][CH3:48])[o:44]3)[CH:7]2[c:24]2[cH:25][cH:26][c:27]([C:28]#[N:29])[cH:30][cH:31]2)[CH2:2][CH2:3]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 887MethanolHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 75065Methyl 5-(chloromethyl)-2-furoateHCID 596848504-{5-(Cyclopropylcarbonyl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidin-4-yl}benzonitrile

Product 1

HCID 59684838Methyl 5-{[6-(4-cyanophenyl)-5-(cyclopropylcarbonyl)-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]-3,6-dihydropyrimidin-1(2H)-yl]methyl}-2-furoate

Sources & evidence

ORD record
ord-f0de6b90fddd48f388e87f519ba0166b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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