Methane → N-{6-{2-(5-aminopyridin-2-yloxy)ethoxy}-5-(4-methylphenyl)pyrimidin-4-yl}-4-tert-butylbenzenesulfonamide

HRID 299253

Reaction equation

HRID 299253 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([S:11](=[O:12])(=[O:13])[NH:14][c:15]2[n:16][cH:17][n:18][c:19]([O:28][CH2:29][CH2:30][O:31][c:32]3[n:33][cH:34][c:35]([N+:38]([O-:39])=[O:40])[cH:36][cH:37]3)[c:20]2-[c:21]2[cH:22][cH:23][c:24]([CH3:27])[cH:25][cH:26]2)[cH:9][cH:10]1.[C:50].[CH:46]([OH:47])([CH3:48])[CH3:49].[O:41]1[CH2:42][CH2:43][CH2:44][CH2:45]1.[Pd:51]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([S:11](=[O:12])(=[O:13])[NH:14][c:15]2[n:16][cH:17][n:18][c:19]([O:28][CH2:29][CH2:30][O:31][c:32]3[n:33][cH:34][c:35]([NH2:38])[cH:36][cH:37]3)[c:20]2-[c:21]2[cH:22][cH:23][c:24]([CH3:27])[cH:25][cH:26]2)[cH:9][cH:10]1

Participants

6

Reactant 5

HCID 297MethaneHCID 3776IsopropanolHCID 8028TetrahydrofuranHCID 23938PalladiumHCID 196894714-tert-butyl-N-{5-(4-methylphenyl)-6-{2-(5-nitropyridin-2-yloxy)ethoxy}pyrimidin-4-yl}benzenesulfonamide

Product 1

HCID 19689480N-{6-{2-(5-aminopyridin-2-yloxy)ethoxy}-5-(4-methylphenyl)pyrimidin-4-yl}-4-tert-butylbenzenesulfonamide

Sources & evidence

ORD record
ord-40e2c5b51893495eb6a34d1a3db14c4e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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