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

HRID 1119592Notes

Reaction equation

HRID 1119592 reaction equation
[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.[F:34][C:35]([CH2:36][CH2:37][I:38])([F:39])[F:40].[Na+:33].[O:41]=[CH:42][N:43]([CH3:44])[CH3:45]>>[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])[CH2:37][CH2:36][C:35]([F:34])([F:39])[F:40])[cH:8]1

Participants

5

Reactant 4

HCID 923Sodium ionHCID 6228DimethylformamideHCID 1561651,1,1-Trifluoro-3-iodopropaneHCID 178428463HCID 178428463, compound

Product 1

HCID 875642274-[4-cyano-2-(3,3,3-trifluoropropylsulfonyl)phenyl]-3,6-dimethyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carbonitrile

Sources & evidence

ORD record
ord-0e080c3492de4fb2be15ca73c93e7d9b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…