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

HRID 2329678Notes

Reaction equation

HRID 2329678 reaction equation
[C:30](=[O:31])([n:32]1[cH:33][cH:34][n:35][cH:36]1)[n:37]1[cH:38][cH:39][n:40][cH:41]1.[CH2:42]1[O:43][CH2:44][CH2:45][CH2:46]1.[CH:1]1([NH:6][c:7]2[n:8][c:9]([S:26][CH3:27])[n:10][cH:11][c:12]2[CH2:13][NH:14][c:15]2[c:16]([F:25])[c:17]([O:22][CH2:23][CH3:24])[cH:18][cH:19][c:20]2[F:21])[CH2:2][CH2:3][CH2:4][CH2:5]1.[H-:29].[Na+:28]>>[CH:1]1([N:6]2[c:7]3[n:8][c:9]([S:26][CH3:27])[n:10][cH:11][c:12]3[CH2:13][N:14]([c:15]3[c:16]([F:25])[c:17]([O:22][CH2:23][CH3:24])[cH:18][cH:19][c:20]3[F:21])[C:30]2=[O:31])[CH2:2][CH2:3][CH2:4][CH2:5]1

Participants

6

Reactant 5

HCID 923Sodium ionHCID 8028TetrahydrofuranHCID 682631,1'-CarbonyldiimidazoleHCID 166653HydrideHCID 18444837Cyclopentyl-{5-[(3-ethoxy-2,6-difluoro-phenylamino)-methyl]-2-methylsulfanyl-pyrimidin-4-yl}-amine

Product 1

HCID 184446931-Cyclopentyl-3-(3-ethoxy-2,6-difluoro-phenyl)-7-methylsulfanyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one

Sources & evidence

ORD record
ord-ed9615550e04479da4db0e655e723b54
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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