Potassium Cation → Acetic acid 2-[5-acetyl-4-(4-cyanophenyl)-6-methyl-1-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-2-ylsulfanyl]-ethyl ester

HRID 1225105Notes

Reaction equation

HRID 1225105 reaction equation
[C:14]([CH3:15])(=[O:16])[C:17]1=[C:22]([CH3:23])[N:21]([c:24]2[cH:25][c:26]([C:30]([F:31])([F:32])[F:33])[cH:27][cH:28][cH:29]2)[C:20](=[S:34])[NH:19][CH:18]1[c:35]1[cH:36][cH:37][c:38]([C:39]#[N:40])[cH:41][cH:42]1.[C:1]([CH3:2])(=[O:3])[O:4][CH2:5][CH2:6][Br:7].[C:8](=[O:9])([O-:10])[O-:11].[K+:12].[K+:13].[O:43]=[CH:44][N:45]([CH3:46])[CH3:47]>>[C:1]([CH3:2])(=[O:3])[O:4][CH2:5][CH2:6][S:34][C:20]1=[N:19][CH:18]([c:35]2[cH:36][cH:37][c:38]([C:39]#[N:40])[cH:41][cH:42]2)[C:17]([C:14]([CH3:15])=[O:16])=[C:22]([CH3:23])[N:21]1[c:24]1[cH:25][c:26]([C:30]([F:31])([F:32])[F:33])[cH:27][cH:28][cH:29]1

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 135641-Acetoxy-2-bromoethaneHCID 19660Carbonate IonHCID 115968194-{5-Acetyl-6-methyl-2-thioxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydro-4-pyrimidinyl}benzonitrile

Product 1

HCID 57762457Acetic acid 2-[5-acetyl-4-(4-cyanophenyl)-6-methyl-1-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-2-ylsulfanyl]-ethyl ester

Sources & evidence

ORD record
ord-b75db51db9ab491cb327484539dd8dc1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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