Potassium Cation → benzyl 4-(3-(5-(furan-2-yl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)phenyl)-5,6-dihydropyridine-1 (2H)-carboxylate

HRID 202508Notes

Reaction equation

HRID 202508 reaction equation
[C:30](=[O:31])([O-:32])[O-:33].[F:36][C:37]([F:38])([F:39])[S:40]([O:41][C:42]1=[CH:43][CH2:44][N:45]([C:48](=[O:49])[O:50][CH2:51][c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[CH2:46][CH2:47]1)(=[O:58])=[O:59].[K+:34].[K+:35].[O:60]=[CH:61][N:62]([CH3:63])[CH3:64].[o:1]1[c:2](-[c:6]2[cH:7][c:8]([C:26]([F:27])([F:28])[F:29])[n:9][n:10]2-[c:11]2[cH:12][c:13]([B:17]3[O:18][C:19]([CH3:20])([CH3:21])[C:22]([CH3:23])([CH3:24])[O:25]3)[cH:14][cH:15][cH:16]2)[cH:3][cH:4][cH:5]1>>[o:1]1[c:2](-[c:6]2[cH:7][c:8]([C:26]([F:27])([F:28])[F:29])[n:9][n:10]2-[c:11]2[cH:12][c:13]([C:42]3=[CH:43][CH2:44][N:45]([C:48](=[O:49])[O:50][CH2:51][c:52]4[cH:53][cH:54][cH:55][cH:56][cH:57]4)[CH2:46][CH2:47]3)[cH:14][cH:15][cH:16]2)[cH:3][cH:4][cH:5]1

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 11303044benzyl 4-(trifluoromethylsulfonyloxy)-5,6-dihydropyridine-1(2H)-carboxylateHCID 598433125-(furan-2-yl)-1-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-3-(trifluoromethyl)-1H-pyrazole

Product 1

HCID 59843270benzyl 4-(3-(5-(furan-2-yl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)phenyl)-5,6-dihydropyridine-1 (2H)-carboxylate

Sources & evidence

ORD record
ord-8acf7fb08af0482fbb331efe30d796f8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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