Sodium ion → 3-[2-Ethyl-6-methyl-4-[5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]propane-1,2-diol

HRID 312302Notes

Reaction equation

HRID 312302 reaction equation
[CH2:1]([CH3:2])[c:3]1[c:4]([OH:26])[c:5]([CH3:25])[cH:6][c:7](-[c:9]2[n:10][o:11][c:12](-[c:14]3[cH:15][c:16]([CH2:21][CH:22]([CH3:23])[CH3:24])[n:17][c:18]([CH3:20])[cH:19]3)[n:13]2)[cH:8]1.[CH:33]([OH:34])([CH3:35])[CH3:36].[Cl:27][CH2:28][CH:29]([CH2:30][OH:31])[OH:32].[Na+:38].[OH-:37]>>[CH2:1]([CH3:2])[c:3]1[c:4]([O:26][CH2:28][CH:29]([CH2:30][OH:31])[OH:32])[c:5]([CH3:25])[cH:6][c:7](-[c:9]2[n:10][o:11][c:12](-[c:14]3[cH:15][c:16]([CH2:21][CH:22]([CH3:23])[CH3:24])[n:17][c:18]([CH3:20])[cH:19]3)[n:13]2)[cH:8]1

Participants

6

Reactant 5

HCID 923Sodium ionHCID 961HydroxideHCID 3776IsopropanolHCID 72903-Chloro-1,2-propanediolHCID 1359239042-Ethyl-4-[5-(2-isobutyl-6-methyl-pyridin-4-yl)-[1,2,4]oxadiazol-3-yl]-6-methyl-phenol

Product 1

HCID 592347703-[2-Ethyl-6-methyl-4-[5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]propane-1,2-diol

Sources & evidence

ORD record
ord-1e84bd66323b47a4a36325afa8e70312
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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