Dimethyl Sulfoxide → HCID 73230345, compound

HRID 1206213Notes

Reaction equation

HRID 1206213 reaction equation
[C:46](=[O:47])([O-:48])[O-:49].[CH2:37]1[CH:38]2[N:39]([CH2:40][CH2:41][NH:42]1)[CH2:43][CH2:44][CH2:45]2.[CH3:52][S:53]([CH3:54])=[O:55].[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+:50].[K+:51]>>[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]([CH2:40][CH2:41]3)[CH2:43][CH2:44][CH2:45]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

6

Reactant 5

HCID 679Dimethyl SulfoxideHCID 813Potassium Cation2×HCID 19660Carbonate IonHCID 558578Octahydropyrrolo(1,2-a)pyrazineHCID 235027842-(3,5-Bis(trifluoromethyl)phenyl)-N-(6-chloro-4-(4-fluoro-2-methylphenyl)pyrid-3-yl)-N,2-dimethylpropanamide

Product 1

HCID 73230345HCID 73230345, compound

Sources & evidence

ORD record
ord-b649ab790c9b4a86b9419e1922507264
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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