Acetic Acid → 1-[(4-{5-[4-Phenyl-5-(trifluoromethyl)-2-thienyl]-1,2,4-oxadiazol-3-yl}-2-furyl)methyl]azetidine-3-carboxylic acid

HRID 2335644Notes

Reaction equation

HRID 2335644 reaction equation
[CH3:39][C:40](=[O:41])[OH:42].[CH3:49][OH:50].[Li+:38].[O:52]1[CH2:53][CH2:54][CH2:55][CH2:56]1.[OH-:37].[OH2:36].[OH2:51].[OH:43][C:44]([C:45](=[O:46])[OH:47])=[O:48].[c:1]1(-[c:7]2[cH:8][c:9](-[c:16]3[n:17][c:18](-[c:21]4[cH:22][c:23]([CH2:26][N:27]5[CH2:28][CH:29]([C:31](=[O:32])[O:33][CH2:34][CH3:35])[CH2:30]5)[o:24][cH:25]4)[n:19][o:20]3)[s:10][c:11]2[C:12]([F:13])([F:14])[F:15])[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[c:7]2[cH:8][c:9](-[c:16]3[n:17][c:18](-[c:21]4[cH:22][c:23]([CH2:26][N:27]5[CH2:28][CH:29]([C:31](=[O:32])[OH:33])[CH2:30]5)[o:24][cH:25]4)[n:19][o:20]3)[s:10][c:11]2[C:12]([F:13])([F:14])[F:15])[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 887MethanolHCID 961HydroxideHCID 962Water2×HCID 971Oxalic AcidHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 68528577HCID 68528577, compound

Product 1

HCID 119777061-[(4-{5-[4-Phenyl-5-(trifluoromethyl)-2-thienyl]-1,2,4-oxadiazol-3-yl}-2-furyl)methyl]azetidine-3-carboxylic acid

Sources & evidence

ORD record
ord-6359127e0a5d491e9edb7e3ec6440902
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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