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

HRID 2320458Notes

Reaction equation

HRID 2320458 reaction equation
[C:46](=[O:47])([O-:48])[O-:49].[CH2:36]1[CH:37]2[N:38]([CH2:39][CH2:40][NH:41]1)[C:42](=[O:45])[CH2:43][CH2:44]2.[CH3:54][S:55]([CH3:56])=[O:57].[Cl-:52].[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+:50].[K+:51].[NH4+: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]([N:41]3[CH2:36][CH:37]4[N:38]([CH2:39][CH2:40]3)[C:42](=[O:45])[CH2:43][CH2:44]4)[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 10820612Octahydropyrrolo[1,2-a]piperazin-6-one

Product 1

HCID 592158642-[3,5-Bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-(6-oxohexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)-3-pyridinyl]propanamide

Sources & evidence

ORD record
ord-666fcb0deaf048ea85f88794e4c48c22
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

Loading…