Potassium Cation → 1-(1,2,4-Triazol-1-yl)-2,3-diphenyl-propan-2-ol

HRID 2312556Notes

Reaction equation

[C:33](=[O:34])([O-:35])[O-:36].[CH3:39][C:40]#[N:41].[K+:37].[K+:38].[OH2:42].[c:1]1([CH2:7][C:8]([CH2:9][O:10][S:11]([c:12]2[cH:13][cH:14][c:15]([CH3:16])[cH:17][cH:18]2)(=[O:19])=[O:20])([OH:21])[c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1.[nH:28]1[n:29][cH:30][n:31][cH:32]1>>[c:1]1([CH2:7][C:8]([CH2:9][n:28]2[n:29][cH:30][n:31][cH:32]2)([OH:21])[c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

Reactant 6

HCID 813Potassium Cation2×

HCID 962Water

HCID 6342Acetonitrile

HCID 92571H-1,2,4-Triazole

HCID 19660Carbonate Ion

HCID 14304305(2-Hydroxy-2,3-diphenylpropyl) 4-methylbenzenesulfonate

Product 1

HCID 135184311-(1,2,4-Triazol-1-yl)-2,3-diphenyl-propan-2-ol

Sources & evidence

ORD record: ord-24ee6ee1e1ef4bf2ab8c17f0c2dffb93
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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