Acetic Acid → 1-{2-[5-(4-Isobutylphenyl)-1,2,4-oxadiazol-3-yl]-4,5,6,7-tetrahydro-1-benzothien-4-yl}azetidine-3-carboxylic acid

HRID 116199Notes

Reaction equation

HRID 116199 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[s: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.[CH3:37][C:38](=[O:39])[OH:40].[Li+:36].[OH-:35].[OH2:34]>>[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[s: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

6

Reactant 5

HCID 176Acetic AcidHCID 961HydroxideHCID 962WaterHCID 28486Lithium ionHCID 68520759Ethyl 1-{2-[5-(4-isobutylphenyl)-1,2,4-oxadiazol-3-yl]-4,5,6,7-tetrahydro-1-benzothien-4-yl}-azetidine-3-carboxylate

Product 1

HCID 592180221-{2-[5-(4-Isobutylphenyl)-1,2,4-oxadiazol-3-yl]-4,5,6,7-tetrahydro-1-benzothien-4-yl}azetidine-3-carboxylic acid

Sources & evidence

ORD record
ord-a540272606334be9905364a2e5c72294
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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