Ammonium → HCID 59215756, compound

HRID 306690Notes

Reaction equation

HRID 306690 reaction equation
[C:47](=[O:48])([O-:49])[O-:50].[CH2:37]1[CH:38]2[N:39]([C:40](=[O:43])[CH2:41][NH:42]1)[CH2:44][CH2:45][CH2:46]2.[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:32])[cH:22][c:23]2-[c:24]2[c:25]([CH3:31])[cH:26][c:27]([F:30])[cH:28][cH:29]2)([CH3:33])[CH3:34])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:35])[F:36].[K+:51].[K+:52].[NH4+:54]>>[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:42]3[CH2:37][CH:38]4[N:39]([C:40](=[O:43])[CH2:41]3)[CH2:44][CH2:45][CH2:46]4)[cH:22][c:23]2-[c:24]2[c:25]([CH3:31])[cH:26][c:27]([F:30])[cH:28][cH:29]2)([CH3:33])[CH3:34])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:35])[F:36]

Participants

8

Reactant 7

HCID 223AmmoniumHCID 312ChlorideHCID 679Dimethyl SulfoxideHCID 813Potassium Cation2×HCID 19660Carbonate IonHCID 22708717Hexahydropyrrolo[1,2-a]pyrazin-4(1H)-oneHCID 235027842-(3,5-Bis(trifluoromethyl)phenyl)-N-(6-chloro-4-(4-fluoro-2-methylphenyl)pyrid-3-yl)-N,2-dimethylpropanamide

Product 1

HCID 59215756HCID 59215756, compound

Sources & evidence

ORD record
ord-bf638d84e60448e0826627ea6ec58c53
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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