Dichloromethane → 2-(1-(2-Hydroxy-2-(4-(5-(3-phenyl-4-(trifluoromethyl)isoxazol-5-yl)-1,2,4-oxadiazol-3-yl)phenyl)ethyl)azetidin-3-yl)acetic acid

HRID 207375Notes

Reaction equation

HRID 207375 reaction equation
[C:1]([O:2][C:6](=[O:3])[N:8]1[CH2:9][CH:10]([CH2:12][C:13](=[O:14])[OH:15])[CH2:11]1)([CH3:4])([CH3:5])[CH3:7].[C:55](=[O:56])([O-:57])[O-:58].[Cl:23][CH2:24][Cl:25].[Cs+:59].[Cs+:60].[F:16][C:17]([F:18])([F:19])[C:20]([OH:21])=[O:22].[O:26]1[CH:27]([c:29]2[cH:30][cH:31][c:32](-[c:35]3[n:36][o:37][c:38](-[c:40]4[c:41]([C:51]([F:52])([F:53])[F:54])[c:42](-[c:45]5[cH:46][cH:47][cH:48][cH:49][cH:50]5)[n:43][o:44]4)[n:39]3)[cH:33][cH:34]2)[CH2:28]1>>[CH2:6]([N:8]1[CH2:9][CH:10]([CH2:12][C:13](=[O:14])[OH:15])[CH2:11]1)[CH:27]([OH:26])[c:29]1[cH:30][cH:31][c:32](-[c:35]2[n:36][o:37][c:38](-[c:40]3[c:41]([C:51]([F:52])([F:53])[F:54])[c:42](-[c:45]4[cH:46][cH:47][cH:48][cH:49][cH:50]4)[n:43][o:44]3)[n:39]2)[cH:33][cH:34]1

Participants

7

Reactant 6

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 110959892-(1-(Tert-butoxycarbonyl)azetidin-3-yl)acetic acidHCID 866563983-(4-(Oxiran-2-yl)phenyl)-5-(3-phenyl-4-(trifluoromethyl)isoxazol-5-yl)-1,2,4-oxadiazole

Product 1

HCID 509235652-(1-(2-Hydroxy-2-(4-(5-(3-phenyl-4-(trifluoromethyl)isoxazol-5-yl)-1,2,4-oxadiazol-3-yl)phenyl)ethyl)azetidin-3-yl)acetic acid

Sources & evidence

ORD record
ord-dd6129576db34216aa1a140158c616fd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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