Dimethyl Sulfoxide → HCID 59215771, compound

HRID 172567Notes

Reaction equation

HRID 172567 reaction equation
[C:47](=[O:48])([O-:49])[O-:50].[CH2:1]1[CH:2]2[N:3]([CH2:4][CH2:5][NH:6]1)[CH2:7][CH2:8][NH:9][CH2:10]2.[CH3:53][S:54]([CH3:55])=[O:56].[F:11][C:12]([c:13]1[cH:14][c:15]([C:23]([C:24](=[O:25])[N:26]([CH3:27])[c:28]2[cH:29][n:30][c:31]([Cl:42])[cH:32][c:33]2-[c:34]2[c:35]([CH3:41])[cH:36][c:37]([F:40])[cH:38][cH:39]2)([CH3:43])[CH3:44])[cH:16][c:17]([C:19]([F:20])([F:21])[F:22])[cH:18]1)([F:45])[F:46].[K+:51].[K+:52]>>[CH2:1]1[CH:2]2[N:3]([CH2:4][CH2:5][N:6]1[c:31]1[n:30][cH:29][c:28]([N:26]([C:24]([C:23]([c:15]3[cH:14][c:13]([C:12]([F:11])([F:45])[F:46])[cH:18][c:17]([C:19]([F:20])([F:21])[F:22])[cH:16]3)([CH3:43])[CH3:44])=[O:25])[CH3:27])[c:33](-[c:34]3[c:35]([CH3:41])[cH:36][c:37]([F:40])[cH:38][cH:39]3)[cH:32]1)[CH2:7][CH2:8][NH:9][CH2:10]2

Participants

6

Reactant 5

HCID 679Dimethyl SulfoxideHCID 813Potassium Cation2×HCID 19660Carbonate IonHCID 11423651HCID 11423651, compoundHCID 235027842-(3,5-Bis(trifluoromethyl)phenyl)-N-(6-chloro-4-(4-fluoro-2-methylphenyl)pyrid-3-yl)-N,2-dimethylpropanamide

Product 1

HCID 59215771HCID 59215771, compound

Sources & evidence

ORD record
ord-585af10fb4554d99a7cdab55cc8ff45d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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