Sodium ion → 5-[3-chloro-4-(3,5-dichloropyridine-2-yloxymethyl)phenyl]-3-(2-chloro-6-fluorophenyl)-1-methyl-1H-1,2,4-triazole

HRID 684598

Reaction equation

HRID 684598 reaction equation
[CH3:36][O:37][CH2:38][CH2:39][O:40][CH3:41].[Cl:26][c:27]1[n:28][cH:29][c:30]([Cl:34])[cH:31][c:32]1[Cl:33].[Cl:3][c:4]1[c:5](-[c:11]2[n:12][n:13]([CH3:25])[c:14](-[c:16]3[cH:17][c:18]([Cl:24])[c:19]([CH2:22][OH:23])[cH:20][cH:21]3)[n:15]2)[c:6]([F:10])[cH:7][cH:8][cH:9]1.[H-:1].[Na+:2].[OH2:35]>>[Cl:3][c:4]1[c:5](-[c:11]2[n:12][n:13]([CH3:25])[c:14](-[c:16]3[cH:17][c:18]([Cl:24])[c:19]([CH2:22][O:23][c:27]4[n:28][cH:29][c:30]([Cl:34])[cH:31][c:32]4[Cl:33])[cH:20][cH:21]3)[n:15]2)[c:6]([F:10])[cH:7][cH:8][cH:9]1

Participants

7

Reactant 6

HCID 923Sodium ionHCID 962WaterHCID 80711,2-DimethoxyethaneHCID 27666Pyridine, 2,3,5-trichloro-HCID 166653HydrideHCID 214636723-(2-chloro-6-fluorophenyl)-5-(3-chloro 4-hydroxymethylphenyl)-1-methyl-1H-1,2,4-triazole

Product 1

HCID 214636495-[3-chloro-4-(3,5-dichloropyridine-2-yloxymethyl)phenyl]-3-(2-chloro-6-fluorophenyl)-1-methyl-1H-1,2,4-triazole

Sources & evidence

ORD record
ord-9d1c18c0f0ad4fba80b57cdbc2bdb46c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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