Potassium Cation → 3-(2-Chloro-5-nitro-phenyl)-1-methyl-7-methylsulfanyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one

HRID 173830Notes

Reaction equation

HRID 173830 reaction equation
[C:23]([O-:24])([O-:25])=[O:26].[CH3:29][C:30]#[N:31].[Cl:1][c:2]1[c:3]([NH:11][CH2:12][c:13]2[c:14]([NH:21][CH3:22])[n:15][c:16]([S:19][CH3:20])[n:17][cH:18]2)[cH:4][c:5]([N+:8](=[O:9])[O-:10])[cH:6][cH:7]1.[K+:27].[K+:28]>>[Cl:1][c:2]1[c:3]([N:11]2[CH2:12][c:13]3[c:14]([n:15][c:16]([S:19][CH3:20])[n:17][cH:18]3)[N:21]([CH3:22])[C:23]2=[O:26])[cH:4][c:5]([N+:8](=[O:9])[O-:10])[cH:6][cH:7]1

Participants

5

Reactant 4

HCID 813Potassium Cation2×HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 68700288{5-[(2-Chloro-5-nitro-phenylamino)-methyl]-2-methylsulfanyl-pyrimidin-4-yl}-methyl-amine

Product 1

HCID 686978933-(2-Chloro-5-nitro-phenyl)-1-methyl-7-methylsulfanyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one

Sources & evidence

ORD record
ord-cb38e0c309d84e7398a1f1280ee92e39
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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