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

HRID 123192Notes

Reaction equation

HRID 123192 reaction equation
[CH3:18][N:19]1[CH2:20][CH2:21][CH2:22][C:23]1=[O:24].[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50].[F:27][c:28]1[c:29]([C:35]2([CH2:39][n:40]3[n:41][cH:42][n:43][cH:44]3)[O:36][CH:37]2[CH3:38])[cH:30][cH:31][c:32]([F:34])[cH:33]1.[H-:25].[Na+:26].[n:1]1(-[c:6]2[cH:7][cH:8][c:9](-[n:12]3[c:13](=[O:17])[nH:14][cH:15][cH:16]3)[cH:10][cH:11]2)[n:2][n:3][cH:4][cH:5]1>>[n:1]1(-[c:6]2[cH:7][cH:8][c:9](-[n:12]3[c:13](=[O:17])[n:14]([CH:37]([C:35]([c:29]4[c:28]([F:27])[cH:33][c:32]([F:34])[cH:31][cH:30]4)([OH:36])[CH2:39][n:40]4[n:41][cH:42][n:43][cH:44]4)[CH3:38])[cH:15][cH:16]3)[cH:10][cH:11]2)[n:2][n:3][cH:4][cH:5]1

Participants

7

Reactant 6

HCID 923Sodium ionHCID 8857Ethyl AcetateHCID 13387N-methyl-2-pyrrolidoneHCID 166653HydrideHCID 108231651-[4-(1H-1,2,3-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 4832921-[2-(2,4-Difluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]-3-[4-(triazol-1-yl)phenyl]imidazol-2-one

Sources & evidence

ORD record
ord-d681fe7f7e394f1c8c6189b1ccc5ff83
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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