Potassium Cation → Tert-butyl 2-[1-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-3-[[1-(2-fluoropentyl)piperidin-4-yl]carbamoyl]-4-methylpyrrolidin-3-yl]acetate

HRID 167901Notes

Reaction equation

HRID 167901 reaction equation
[Br:39][CH2:40][c:41]1[c:42]([Cl:51])[cH:43][cH:44][cH:45][c:46]1[C:47]([F:48])([F:49])[F:50].[C:52](=[O:53])([O-:54])[O-:55].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][C:10]([C:14]([NH:15][CH:16]2[CH2:17][CH2:18][N:19]([CH2:22][CH:23]([CH2:24][CH2:25][CH3:26])[F:27])[CH2:20][CH2:21]2)=[O:28])([CH2:29][C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])[CH:11]([CH3:13])[CH2:12]1.[CH3:37][OH:38].[CH3:62][N:63]([CH3:64])[CH:65]=[O:66].[K+:56].[K+:57].[OH-:58].[OH-:60].[OH2:61].[Pd+2:59]>>[N:8]1([CH2:40][c:41]2[c:42]([Cl:51])[cH:43][cH:44][cH:45][c:46]2[C:47]([F:48])([F:49])[F:50])[CH2:9][C:10]([C:14]([NH:15][CH:16]2[CH2:17][CH2:18][N:19]([CH2:22][CH:23]([CH2:24][CH2:25][CH3:26])[F:27])[CH2:20][CH2:21]2)=[O:28])([CH2:29][C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])[CH:11]([CH3:13])[CH2:12]1

Participants

10

Reactant 9

HCID 813Potassium Cation2×HCID 887MethanolHCID 961Hydroxide2×HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 177506812-(Bromomethyl)-1-chloro-3-(trifluoromethyl)benzeneHCID 71293808Tert-butyl 2-[1-benzyl-3-[[1-(2-fluoropentyl)piperidin-4-yl]carbamoyl]-4-methylpyrrolidin-3-yl]acetate

Product 1

HCID 71293835Tert-butyl 2-[1-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-3-[[1-(2-fluoropentyl)piperidin-4-yl]carbamoyl]-4-methylpyrrolidin-3-yl]acetate

Sources & evidence

ORD record
ord-e8ff51c6194445678af13e675588d2fa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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