Dimethyl Sulfoxide → 2-(4-(2-Hydroxy-2-(4-(5-(3-phenyl-4-(trifluoromethyl)isoxazol-5-yl)-1,2,4-oxadiazol-3-yl)phenyl)ethyl)morpholin-2-yl)acetic acid

HRID 1142067Notes

Reaction equation

HRID 1142067 reaction equation
[CH3:40][CH:41]([OH:42])[CH3:43].[CH3:44][S:45]([CH3:46])=[O:47].[O:1]1[CH:2]([c:4]2[cH:5][cH:6][c:7](-[c:10]3[n:11][o:12][c:13](-[c:15]4[c:16]([C:26]([F:27])([F:28])[F:29])[c:17](-[c:20]5[cH:21][cH:22][cH:23][cH:24][cH:25]5)[n:18][o:19]4)[n:14]3)[cH:8][cH:9]2)[CH2:3]1.[O:30]1[CH:31]([CH2:36][C:37](=[O:38])[OH:39])[CH2:32][NH:33][CH2:34][CH2:35]1>>[OH:1][CH:2]([CH2:3][N:33]1[CH2:32][CH:31]([CH2:36][C:37](=[O:38])[OH:39])[O:30][CH2:35][CH2:34]1)[c:4]1[cH:5][cH:6][c:7](-[c:10]2[n:11][o:12][c:13](-[c:15]3[c:16]([C:26]([F:27])([F:28])[F:29])[c:17](-[c:20]4[cH:21][cH:22][cH:23][cH:24][cH:25]4)[n:18][o:19]3)[n:14]2)[cH:8][cH:9]1

Participants

5

Reactant 4

HCID 679Dimethyl SulfoxideHCID 3776IsopropanolHCID 50462442-Morpholineacetic acidHCID 866563983-(4-(Oxiran-2-yl)phenyl)-5-(3-phenyl-4-(trifluoromethyl)isoxazol-5-yl)-1,2,4-oxadiazole

Product 1

HCID 509237062-(4-(2-Hydroxy-2-(4-(5-(3-phenyl-4-(trifluoromethyl)isoxazol-5-yl)-1,2,4-oxadiazol-3-yl)phenyl)ethyl)morpholin-2-yl)acetic acid

Sources & evidence

ORD record
ord-e79745c679324ba98b8efa24d133281a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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