Sodium ion → 4-(4-cyano-2-cyclobutylsulfonylphenyl)-3,6-dimethyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carbonitrile

HRID 1551167Notes

Reaction equation

HRID 1551167 reaction equation
[Br:34][CH:35]1[CH2:36][CH2:37][CH2:38]1.[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([CH:12]2[N:13]([CH3:32])[C:14](=[O:31])[N:15]([c:21]3[cH:22][c:23]([C:27]([F:28])([F:29])[F:30])[cH:24][cH:25][cH:26]3)[C:16]([CH3:20])=[C:17]2[C:18]#[N:19])[c:7]([S:9](=[O:10])[O-:11])[cH:8]1.[Na+:33].[O:39]=[CH:40][N:41]([CH3:42])[CH3:43]>>[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([CH:12]2[N:13]([CH3:32])[C:14](=[O:31])[N:15]([c:21]3[cH:22][c:23]([C:27]([F:28])([F:29])[F:30])[cH:24][cH:25][cH:26]3)[C:16]([CH3:20])=[C:17]2[C:18]#[N:19])[c:7]([S:9](=[O:10])(=[O:11])[CH:35]2[CH2:36][CH2:37][CH2:38]2)[cH:8]1

Participants

5

Reactant 4

HCID 923Sodium ionHCID 6228DimethylformamideHCID 78110BromocyclobutaneHCID 178428463HCID 178428463, compound

Product 1

HCID 771518194-(4-cyano-2-cyclobutylsulfonylphenyl)-3,6-dimethyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carbonitrile

Sources & evidence

ORD record
ord-b67d83ea4a5d42f5a4dad5a4b26c2eae
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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