Dimethyl Sulfoxide → 3-[4-(5-t-Butyl-isoxazol-3-ylamino)-pyrimidin-2-ylamino]-benzenesulfonamide

HRID 2338517Notes

Reaction equation

HRID 2338517 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([NH:10][c:11]2[n:12][c:13]([Cl:17])[n:14][cH:15][cH:16]2)[n:8][o:9]1.[CH3:33][S:34]([CH3:35])=[O:36].[CH:29]([OH:30])([CH3:31])[CH3:32].[NH2:18][c:19]1[cH:20][c:21]([S:25](=[O:26])(=[O:27])[NH2:28])[cH:22][cH:23][cH:24]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([NH:10][c:11]2[n:12][c:13]([NH:18][c:19]3[cH:20][c:21]([S:25](=[O:26])(=[O:27])[NH2:28])[cH:22][cH:23][cH:24]3)[n:14][cH:15][cH:16]2)[n:8][o:9]1

Participants

5

Reactant 4

HCID 679Dimethyl SulfoxideHCID 3776IsopropanolHCID 7377Benzenesulfonamide, 3-amino-HCID 21936452(2-Chloro-pyrimidin-4-yl)-(5-tert-butyl-isoxazol-3-yl)-amine

Product 1

HCID 219364603-[4-(5-t-Butyl-isoxazol-3-ylamino)-pyrimidin-2-ylamino]-benzenesulfonamide

Sources & evidence

ORD record
ord-5b272e0cbb3446b993bd28198e271a16
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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