Acetone → Ethyl 3-[5-(2-acetylaminopyridin-4-yl)-4-(4-fluorophenyl)-1-methyl-1H-imidazol-2-ylsulfanyl]propionate

HRID 667467Notes

Reaction equation

HRID 667467 reaction equation
[Br:31][CH2:32][CH2:33][C:34](=[O:35])[O:36][CH2:37][CH3:38].[CH3:39][C:40](=[O:41])[CH3:42].[F:7][c:8]1[cH:9][cH:10][c:11](-[c:14]2[c:15](-[c:21]3[cH:22][c:23]([NH:27][C:28]([CH3:29])=[O:30])[n:24][cH:25][cH:26]3)[n:16]([CH3:20])[c:17](=[S:19])[nH:18]2)[cH:12][cH:13]1.[K+:1].[K+:2].[O-:3][C:4]([O-:5])=[O:6]>>[F:7][c:8]1[cH:9][cH:10][c:11](-[c:14]2[c:15](-[c:21]3[cH:22][c:23]([NH:27][C:28]([CH3:29])=[O:30])[n:24][cH:25][cH:26]3)[n:16]([CH3:20])[c:17]([S:19][CH2:32][CH2:33][C:34](=[O:35])[O:36][CH2:37][CH3:38])[n:18]2)[cH:12][cH:13]1

Participants

6

Reactant 5

HCID 180AcetoneHCID 813Potassium Cation2×HCID 19660Carbonate IonHCID 68320Ethyl 3-bromopropionateHCID 11782826N-{4-[5-(4-fluorophenyl)-3-methyl-2-thioxo-2H-imidazol-4-yl]pyridin-2-yl}acetamide

Product 1

HCID 58752321Ethyl 3-[5-(2-acetylaminopyridin-4-yl)-4-(4-fluorophenyl)-1-methyl-1H-imidazol-2-ylsulfanyl]propionate

Sources & evidence

ORD record
ord-2818428d585143e69df181e989fca37d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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