Dimethylformamide → 1-[3-(4-fluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazol-2-one

HRID 1121137Notes

Reaction equation

HRID 1121137 reaction equation
[C:37](=[O:38])([O-:39])[O-:40].[CH3:43][N:44]([CH3:45])[CH:46]=[O:47].[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[Cs+:41].[Cs+:42].[F:18][C:19]([CH:20]([F:21])[F:22])([O:23][c:24]1[cH:25][cH:26][c:27](-[n:30]2[c:31](=[O:35])[nH:32][cH:33][cH:34]2)[cH:28][cH:29]1)[F:36].[F:1][c:2]1[cH:3][cH:4][c:5]([C:8]2([CH2:12][n:13]3[n:14][cH:15][n:16][cH:17]3)[O:9][CH:10]2[CH3:11])[cH:6][cH:7]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([C:8]([OH:9])([CH:10]([CH3:11])[n:32]2[c:31](=[O:35])[n:30](-[c:27]3[cH:26][cH:25][c:24]([O:23][C:19]([F:18])([CH:20]([F:21])[F:22])[F:36])[cH:29][cH:28]3)[cH:34][cH:33]2)[CH2:12][n:13]2[n:14][cH:15][n:16][cH:17]2)[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 105643671-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-2(1H,3H)-imidazoloneHCID 178434808HCID 178434808, compound

Product 1

HCID 1784626991-[3-(4-fluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazol-2-one

Sources & evidence

ORD record
ord-1f2f2d5b7a28429e84a2564598feadff
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…