Sodium ion → 1-Cyclopropyl-3-(2,6-difluoro-3,5-dimethoxy-phenyl)-7-methylsulfanyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one

HRID 175898Notes

Reaction equation

HRID 175898 reaction equation
[C:29](=[O:30])([n:31]1[cH:32][cH:33][n:34][cH:35]1)[n:36]1[cH:37][cH:38][n:39][cH:40]1.[CH2:41]1[O:42][CH2:43][CH2:44][CH2:45]1.[CH:1]1([NH:4][c:5]2[n:6][c:7]([S:25][CH3:26])[n:8][cH:9][c:10]2[CH2:11][NH:12][c:13]2[c:14]([F:24])[c:15]([O:22][CH3:23])[cH:16][c:17]([O:20][CH3:21])[c:18]2[F:19])[CH2:2][CH2:3]1.[H-:28].[Na+:27]>>[CH:1]1([N:4]2[c:5]3[n:6][c:7]([S:25][CH3:26])[n:8][cH:9][c:10]3[CH2:11][N:12]([c:13]3[c:14]([F:24])[c:15]([O:22][CH3:23])[cH:16][c:17]([O:20][CH3:21])[c:18]3[F:19])[C:29]2=[O:30])[CH2:2][CH2:3]1

Participants

6

Reactant 5

HCID 923Sodium ionHCID 8028TetrahydrofuranHCID 682631,1'-CarbonyldiimidazoleHCID 166653HydrideHCID 18444839Cyclopropyl-(5-[(2,6-difluoro-3,5-dimethoxy-phenylamino)-methyl]-2-methylsulfanyl-pyrimidin-4-yl)-amine

Product 1

HCID 184446951-Cyclopropyl-3-(2,6-difluoro-3,5-dimethoxy-phenyl)-7-methylsulfanyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one

Sources & evidence

ORD record
ord-7ac1db25cb664515a2c895cc1b917f8b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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