Sodium ion → 1-[[4-Ethyl-5-[5-(4-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-thienyl]methyl]-3-azetidinecarboxylic acid

HRID 1131196Notes

Reaction equation

HRID 1131196 reaction equation
[CH2:1]([CH3:2])[c:3]1[cH:4][c:5]([CH2:26][N:27]2[CH2:28][CH:29]([C:31](=[O:32])[O:33][CH3:34])[CH2:30]2)[s:6][c:7]1-[c:8]1[n:9][o:10][c:11](-[c:13]2[cH:14][cH:15][c:16]([O:19][c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[cH:17][cH:18]2)[n:12]1.[Na+:36].[OH-:35]>>[CH2:1]([CH3:2])[c:3]1[cH:4][c:5]([CH2:26][N:27]2[CH2:28][CH:29]([C:31](=[O:32])[OH:33])[CH2:30]2)[s:6][c:7]1-[c:8]1[n:9][o:10][c:11](-[c:13]2[cH:14][cH:15][c:16]([O:19][c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[cH:17][cH:18]2)[n:12]1

Participants

4

Reactant 3

HCID 923Sodium ionHCID 961HydroxideHCID 59052139Methyl 1-({4-ethyl-5-[5-(4-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-thienyl}methyl)azetidine-3-carboxylate

Product 1

HCID 119779381-[[4-Ethyl-5-[5-(4-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-thienyl]methyl]-3-azetidinecarboxylic acid

Sources & evidence

ORD record
ord-409d60d02f21405f8b7e7b2362e2147c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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