Dimethyl Sulfoxide → 8-[5-(3-Methyl-5-{[4-(trifluoromethyl)pyrimidin-2-yl]amino}phenyl)-1,3-thiazol-2-yl]-1,4-dioxaspiro[4.5]decane-8-carboxamide

HRID 143168Notes

Reaction equation

HRID 143168 reaction equation
[C:36]([O-:37])(=[O:38])[O-:39].[CH3:1][c:2]1[cH:3][c:4](-[c:19]2[cH:20][n:21][c:22]([C:24]3([C:34]#[N:35])[CH2:25][CH2:26][C:27]4([O:28][CH2:29][CH2:30][O:31]4)[CH2:32][CH2:33]3)[s:23]2)[cH:5][c:6]([NH:8][c:9]2[n:10][cH:11][cH:12][c:13]([C:15]([F:16])([F:17])[F:18])[n:14]2)[cH:7]1.[CH3:44][S:45]([CH3:46])=[O:47].[K+:40].[K+:41].[OH2:48].[OH:42][OH:43]>>[CH3:1][c:2]1[cH:3][c:4](-[c:19]2[cH:20][n:21][c:22]([C:24]3([C:34]([NH2:35])=[O:37])[CH2:25][CH2:26][C:27]4([O:28][CH2:29][CH2:30][O:31]4)[CH2:32][CH2:33]3)[s:23]2)[cH:5][c:6]([NH:8][c:9]2[n:10][cH:11][cH:12][c:13]([C:15]([F:16])([F:17])[F:18])[n:14]2)[cH:7]1

Participants

7

Reactant 6

HCID 679Dimethyl SulfoxideHCID 784Hydrogen PeroxideHCID 813Potassium Cation2×HCID 962WaterHCID 19660Carbonate IonHCID 672617008-[5-(3-Methyl-5-{[4-(trifluoromethyl)pyrimidin-2-yl]amino}phenyl)-1,3-thiazol-2-yl]-1,4-dioxaspiro[4.5]decane-8-carbonitrile

Product 1

HCID 672577948-[5-(3-Methyl-5-{[4-(trifluoromethyl)pyrimidin-2-yl]amino}phenyl)-1,3-thiazol-2-yl]-1,4-dioxaspiro[4.5]decane-8-carboxamide

Sources & evidence

ORD record
ord-68589e3ad8444386975851b5448c9ab7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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