Sodium ion → 2-[3-(4-Fluorophenyl)-1,2,4-triazole-1-yl]-1-(2-fluoro-4-trifluoromethylphenyl)-1-(1,2,4-triazole-1-ylmethyl)-ethanol

HRID 670302Notes

Reaction equation

HRID 670302 reaction equation
[C:35]([OH:36])([CH3:37])([CH3:38])[CH3:39].[F:1][c:2]1[c:3]([C:12]2([CH2:15][n:16]3[n:17][cH:18][n:19][cH:20]3)[O:13][CH2:14]2)[cH:4][cH:5][c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1.[F:21][c:22]1[cH:23][cH:24][c:25](-[c:28]2[n:29][nH:30][cH:31][n:32]2)[cH:26][cH:27]1.[H-:33].[Na+:34]>>[F:1][c:2]1[c:3]([C:12]([OH:13])([CH2:14][n:30]2[n:29][c:28](-[c:25]3[cH:24][cH:23][c:22]([F:21])[cH:27][cH:26]3)[n:32][cH:31]2)[CH2:15][n:16]2[n:17][cH:18][n:19][cH:20]2)[cH:4][cH:5][c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1

Participants

6

Reactant 5

HCID 923Sodium ionHCID 6386tert-ButanolHCID 166653HydrideHCID 202266732-(2-Fluoro-4-trifluoromethylphenyl)-2-(1,2,4-triazol-1-ylmethyl)oxiraneHCID 178505560HCID 178505560, compound

Product 1

HCID 202267022-[3-(4-Fluorophenyl)-1,2,4-triazole-1-yl]-1-(2-fluoro-4-trifluoromethylphenyl)-1-(1,2,4-triazole-1-ylmethyl)-ethanol

Sources & evidence

ORD record
ord-8b77e1396d2b4d27824fc7ebb01f023d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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