Acetate → N-(1-cyanocyclopropyl)-2-(oxan-4-yloxy)-4-[2-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxamide

HRID 696550Notes

Reaction equation

HRID 696550 reaction equation
[C:1](#[N:2])[C:3]1([NH:6][C:7](=[O:8])[CH:9]2[CH:10]([O:28][CH:29]3[CH2:30][CH2:31][O:32][CH2:33][CH2:34]3)[CH2:11][CH:12]([S:14](=[O:15])(=[O:16])[c:17]3[c:18]([C:24]([F:25])([F:26])[F:27])[cH:19][c:20]([Br:23])[cH:21][cH:22]3)[CH2:13]2)[CH2:4][CH2:5]1.[C:65]([O-:66])(=[O:67])[CH3:68].[C:70]([O-:71])(=[O:72])[CH3:73].[CH2:60]([OH:61])[CH2:62][CH2:63][CH3:64].[K+:35].[K+:36].[O-:37][C:38]([O-:39])=[O:40].[Pd+2:69].[c:41]1([P:42]([c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[cH:55][cH:56][cH:57][cH:58][cH:59]1>>[C:1](#[N:2])[C:3]1([NH:6][C:7](=[O:8])[CH:9]2[CH:10]([O:28][CH:29]3[CH2:30][CH2:31][O:32][CH2:33][CH2:34]3)[CH2:11][CH:12]([S:14](=[O:15])(=[O:16])[c:17]3[c:18]([C:24]([F:25])([F:26])[F:27])[cH:19][cH:20][cH:21][cH:22]3)[CH2:13]2)[CH2:4][CH2:5]1

Participants

8

Reactant 7

HCID 175Acetate2×HCID 2631-ButanolHCID 813Potassium Cation2×HCID 11776TriphenylphosphineHCID 19660Carbonate IonHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 723404614-[4-bromo-2-(trifluoromethyl)phenyl]sulfonyl-N-(1-cyanocyclopropyl)-2-(oxan-4-yloxy)cyclopentane-1-carboxamide

Product 1

HCID 72340423N-(1-cyanocyclopropyl)-2-(oxan-4-yloxy)-4-[2-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxamide

Sources & evidence

ORD record
ord-459496c2813e4d44a75fd9c79b09d552
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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