Water → 1-[2-(2,4-Difluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]-3-[4-(1,2,4-triazol-1-yl)phenyl]imidazol-2-one

HRID 2315281Notes

Reaction equation

HRID 2315281 reaction equation
[C:36](=[O:37])([O-:38])[O-:39].[CH3:42][N:43]([CH3:44])[CH:45]=[O:46].[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52].[Cs+:40].[Cs+:41].[F:1][c:2]1[c:3]([C:9]2([CH2:13][n:14]3[n:15][cH:16][n:17][cH:18]3)[O:10][CH:11]2[CH3:12])[cH:4][cH:5][c:6]([F:8])[cH:7]1.[OH2:53].[n:19]1(-[c:24]2[cH:25][cH:26][c:27](-[n:30]3[c:31](=[O:35])[nH:32][cH:33][cH:34]3)[cH:28][cH:29]2)[n:20][cH:21][n:22][cH:23]1>>[F:1][c:2]1[c:3]([C:9]([OH:10])([CH:11]([CH3:12])[n:32]2[c:31](=[O:35])[n:30](-[c:27]3[cH:26][cH:25][c:24](-[n:19]4[n:20][cH:21][n:22][cH:23]4)[cH:29][cH:28]3)[cH:34][cH:33]2)[CH2:13][n:14]2[n:15][cH:16][n:17][cH:18]2)[cH:4][cH:5][c:6]([F:8])[cH:7]1

Participants

8

Reactant 7

HCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 106330471-[4-(1H-1,2,4-triazol-1-yl)phenyl]-2-(1H,3H)-imidazoloneHCID 147064491-((2-(2,4-Difluorophenyl)-3-methyl-2-oxiranyl)methyl)-1H-1,2,4-triazole

Product 1

HCID 4832901-[2-(2,4-Difluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]-3-[4-(1,2,4-triazol-1-yl)phenyl]imidazol-2-one

Sources & evidence

ORD record
ord-d20310f65ebc4f2484604dca68597ff2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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