Methanol → 4-[(4-Fluoro-3-hydroxybenzyl)(4-cyanophenyl)amino]-4H-[1,2,4]triazole

HRID 1118698

Reaction equation

HRID 1118698 reaction equation
[C:3](#[N:4])[c:5]1[cH:6][cH:7][c:8]([N:11]([n:12]2[cH:13][n:14][n:15][cH:16]2)[CH2:17][c:18]2[cH:19][cH:20][c:21]([F:33])[c:22]([O:24][C:25](=[O:26])[c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[cH:23]2)[cH:9][cH:10]1.[CH3:35][OH:36].[Na+:2].[OH-:1].[OH2:34]>>[C:3](#[N:4])[c:5]1[cH:6][cH:7][c:8]([N:11]([n:12]2[cH:13][n:14][n:15][cH:16]2)[CH2:17][c:18]2[cH:19][cH:20][c:21]([F:33])[c:22]([OH:24])[cH:23]2)[cH:9][cH:10]1

Participants

6

Reactant 5

HCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 167492214-[(3-benzoyloxy-4-fluorobenzyl)(4-cyanophenyl)amino]-4H-[1,2,4]triazole

Product 1

HCID 167478394-[(4-Fluoro-3-hydroxybenzyl)(4-cyanophenyl)amino]-4H-[1,2,4]triazole

Sources & evidence

ORD record
ord-646df467d7174df0a3541a10c692279a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Linked notes

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