4-[4-(2H-2-tetrazolyl)phenyl]-3(2H,4H)-1,2,4-triazolone → 2-[2-(2,4-Difluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]-4-[4-(tetrazol-2-yl)phenyl]-1,2,4-triazol-3-one

HRID 143061Notes

Reaction equation

HRID 143061 reaction equation
[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.[n:19]1[n:20](-[c:24]2[cH:25][cH:26][c:27](-[n:30]3[c:31](=[O:35])[nH:32][n:33][cH:34]3)[cH:28][cH:29]2)[n: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:20]4[n:19][cH:23][n:22][n:21]4)[cH:29][cH:28]3)[cH:34][n: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

3

Reactant 2

HCID 106809054-[4-(2H-2-tetrazolyl)phenyl]-3(2H,4H)-1,2,4-triazoloneHCID 147064491-((2-(2,4-Difluorophenyl)-3-methyl-2-oxiranyl)methyl)-1H-1,2,4-triazole

Product 1

HCID 4832832-[2-(2,4-Difluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]-4-[4-(tetrazol-2-yl)phenyl]-1,2,4-triazol-3-one

Sources & evidence

ORD record
ord-1bc905cd84e3415fa7ca1de79b21fc72
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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