Ammonium → 2-[3,5-Bis(trifluoromethyl)phenyl]-N-[6-(1,1-dioxidohexahydro-5H-isothiazolo[2,3-a]pyrazin-5-yl)-4-(2-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide

HRID 161892Notes

Reaction equation

HRID 161892 reaction equation
[C:47](=[O:48])([O-:49])[O-:50].[CH3:55][S:56]([CH3:57])=[O:58].[Cl-:53].[F:1][C:2]([c:3]1[cH:4][c:5]([C:13]([C:14](=[O:15])[N:16]([CH3:17])[c:18]2[cH:19][n:20][c:21]([Cl:31])[cH:22][c:23]2-[c:24]2[c:25]([CH3:30])[cH:26][cH:27][cH:28][cH:29]2)([CH3:32])[CH3:33])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:34])[F:35].[K+:51].[K+:52].[NH4+:54].[S:36]1(=[O:45])(=[O:46])[CH2:37][CH2:38][CH:39]2[N:40]1[CH2:41][CH2:42][NH:43][CH2:44]2>>[F:1][C:2]([c:3]1[cH:4][c:5]([C:13]([C:14](=[O:15])[N:16]([CH3:17])[c:18]2[cH:19][n:20][c:21]([N:43]3[CH2:42][CH2:41][N:40]4[S:36](=[O:45])(=[O:46])[CH2:37][CH2:38][CH:39]4[CH2:44]3)[cH:22][c:23]2-[c:24]2[c:25]([CH3:30])[cH:26][cH:27][cH:28][cH:29]2)([CH3:32])[CH3:33])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:34])[F:35]

Participants

8

Reactant 7

HCID 223AmmoniumHCID 312ChlorideHCID 679Dimethyl SulfoxideHCID 813Potassium Cation2×HCID 19660Carbonate IonHCID 102295322-(3,5-bis(trifluoromethyl)phenyl)-N-(6-chloro-4-(o-tolyl)pyridin-3-yl)-N,2-dimethylpropanamideHCID 59215775Hexahydro-2H-isothiazolo[2,3-a]pyrazine 1,1-dioxide

Product 1

HCID 160636472-[3,5-Bis(trifluoromethyl)phenyl]-N-[6-(1,1-dioxidohexahydro-5H-isothiazolo[2,3-a]pyrazin-5-yl)-4-(2-methylphenyl)-3-pyridinyl]-N,2-dimethylpropanamide

Sources & evidence

ORD record
ord-6fec4b64885340e39c6d8f1471d70313
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…