Acetic Acid → tert-Butyl 1-(2-hydroxy-2-(4-(5-(5-phenyl-4-propylisoxazol-3-yl)-1,2,4-oxadiazol-3-yl)phenyl)ethyl)azetidine-3-carboxylate

HRID 298081Notes

Reaction equation

HRID 298081 reaction equation
[Br:1][CH2:2][CH:3]([OH:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[n:12][o:13][c:14](-[c:16]3[n:17][o:18][c:19](-[c:24]4[cH:25][cH:26][cH:27][cH:28][cH:29]4)[c:20]3[CH2:21][CH2:22][CH3:23])[n:15]2)[cH:9][cH:10]1.[C:41]([OH:42])(=[O:43])[CH3:44].[CH3:45][S:46]([CH3:47])=[O:48].[NH:30]1[CH2:31][CH:32]([C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])[CH2:33]1>>[CH2:2]([CH:3]([OH:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[n:12][o:13][c:14](-[c:16]3[n:17][o:18][c:19](-[c:24]4[cH:25][cH:26][cH:27][cH:28][cH:29]4)[c:20]3[CH2:21][CH2:22][CH3:23])[n:15]2)[cH:9][cH:10]1)[N:30]1[CH2:31][CH:32]([C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])[CH2:33]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 679Dimethyl SulfoxideHCID 21828700tert-Butyl azetidine-3-carboxylateHCID 583740872-Bromo-1-(4-(5-(5-phenyl-4-propylisoxazol-3-yl)-1,2,4-oxadiazol-3-yl)phenyl)ethanol

Product 1

HCID 58374129tert-Butyl 1-(2-hydroxy-2-(4-(5-(5-phenyl-4-propylisoxazol-3-yl)-1,2,4-oxadiazol-3-yl)phenyl)ethyl)azetidine-3-carboxylate

Sources & evidence

ORD record
ord-9e44c05f55084e8ab7cbb1b0ab728054
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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