Sodium ion → 1-{2-[5-(4-Isobutylphenyl)-1,2,4-oxadiazol-3-yl]-4,5,6,7-tetrahydro-1-benzofuran-4-yl}azetidine-3-carboxylic acid

HRID 1145149Notes

Reaction equation

HRID 1145149 reaction equation
[CH2:1]([CH:2]([CH3:3])[CH3:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[n:12][c:13](-[c:16]3[o:17][c:18]4[c:19]([cH:20]3)[CH:21]([N:25]3[CH2:26][CH:27]([C:29](=[O:30])[O:31][CH2:32][CH3:33])[CH2:28]3)[CH2:22][CH2:23][CH2:24]4)[n:14][o:15]2)[cH:9][cH:10]1.[Na+:35].[OH-:34].[OH:36][C:37]([C:38](=[O:39])[OH:40])=[O:41]>>[CH2:1]([CH:2]([CH3:3])[CH3:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[n:12][c:13](-[c:16]3[o:17][c:18]4[c:19]([cH:20]3)[CH:21]([N:25]3[CH2:26][CH:27]([C:29](=[O:30])[OH:31])[CH2:28]3)[CH2:22][CH2:23][CH2:24]4)[n:14][o:15]2)[cH:9][cH:10]1

Participants

5

Reactant 4

HCID 923Sodium ionHCID 961HydroxideHCID 971Oxalic AcidHCID 68528772HCID 68528772, compound

Product 1

HCID 592180451-{2-[5-(4-Isobutylphenyl)-1,2,4-oxadiazol-3-yl]-4,5,6,7-tetrahydro-1-benzofuran-4-yl}azetidine-3-carboxylic acid

Sources & evidence

ORD record
ord-a3e8a5a8708740f1a4363c50c4127efa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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