Dimethyl Sulfoxide → (+/-)-3-[3-(4-methoxy-phenyl)-4-methyl-2-oxo-7-phenylamino-3,4-dihydro-2H-pyrimido[4,5-d]pyrimidin-1-yl]-benzamide

HRID 667686Notes

Reaction equation

HRID 667686 reaction equation
[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([N:9]2[C:10](=[O:35])[N:11]([c:27]3[cH:28][c:29]([C:30]#[N:31])[cH:32][cH:33][cH:34]3)[c:12]3[n:13][c:14]([NH:20][c:21]4[cH:22][cH:23][cH:24][cH:25][cH:26]4)[n:15][cH:16][c:17]3[CH:18]2[CH3:19])[cH:7][cH:8]1.[CH3:40][S:41](=[O:42])[CH3:43].[Na+:37].[OH-:36].[OH:38][OH:39]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([N:9]2[C:10](=[O:35])[N:11]([c:27]3[cH:28][c:29]([C:30]([NH2:31])=[O:36])[cH:32][cH:33][cH:34]3)[c:12]3[n:13][c:14]([NH:20][c:21]4[cH:22][cH:23][cH:24][cH:25][cH:26]4)[n:15][cH:16][c:17]3[CH:18]2[CH3:19])[cH:7][cH:8]1

Participants

6

Reactant 5

HCID 679Dimethyl SulfoxideHCID 784Hydrogen PeroxideHCID 923Sodium ionHCID 961HydroxideHCID 10367082(+/-)-3-[3-(4-methoxy-phenyl)-4-methyl-2-oxo-7-phenylamino-3,4-dihydro-2H-pyrimido[4,5-d]pyrimidin-1-yl]-benzonitrile

Product 1

HCID 10480299(+/-)-3-[3-(4-methoxy-phenyl)-4-methyl-2-oxo-7-phenylamino-3,4-dihydro-2H-pyrimido[4,5-d]pyrimidin-1-yl]-benzamide

Sources & evidence

ORD record
ord-cabba1d8272543558908e9573acacbe9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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