Dimethyl Sulfoxide → HCID 50923705, compound

HRID 171942Notes

Reaction equation

HRID 171942 reaction equation
[C:40](=[O:41])([O-:42])[O-:43].[CH3:46][CH:47]([OH:48])[CH3:49].[CH3:50][S:51]([CH3:52])=[O:53].[Cs+:44].[Cs+:45].[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.[OH:30][CH:31]1[CH2:32][CH:33]([C:37](=[O:38])[OH:39])[CH2:34][NH:35][CH2:36]1>>[OH:1][CH:2]([CH2:3][N:35]1[CH2:34][CH:33]([C:37](=[O:38])[OH:39])[CH2:32][CH:31]([OH:30])[CH2:36]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

7

Reactant 6

HCID 679Dimethyl SulfoxideHCID 3776IsopropanolHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 4577144HCID 4577144, compoundHCID 866563983-(4-(Oxiran-2-yl)phenyl)-5-(3-phenyl-4-(trifluoromethyl)isoxazol-5-yl)-1,2,4-oxadiazole

Product 1

HCID 50923705HCID 50923705, compound

Sources & evidence

ORD record
ord-d189b15d54ad48be8c62b83852772c79
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…