Methanol → 1-[4-[5-[2-(Diethylamino)-6-methyl-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-3-methoxypropan-2-ol

HRID 283526Notes

Reaction equation

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

Participants

Reactant 4

HCID 887Methanol

HCID 923Sodium ion

HCID 3826051Methoxide

HCID 87503562N,N-diethyl-4-[3-[3-ethyl-5-methyl-4-(oxiran-2-ylmethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-6-methylpyridin-2-amine

Product 1

HCID 690431251-[4-[5-[2-(Diethylamino)-6-methyl-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-3-methoxypropan-2-ol

Sources & evidence

ORD record: ord-21d7c86ee2dd449dab719e33683d1dcc
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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