Dimethylformamide → (3-(4-(Hydroxymethyl)phenylthio)azetidin-1-yl)(5-phenyl-1,3,4-oxadiazol-2-yl)methanone

HRID 1561040Notes

Reaction equation

HRID 1561040 reaction equation
[C:32](=[O:33])([O-:34])[O-:35].[CH3:10][S:11]([O:12][CH:15]1[CH2:16][N:17]([C:19](=[O:20])[c:21]2[o:22][c:23](-[c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[n:24][n:25]2)[CH2:18]1)(=[O:13])=[O:14].[CH3:38][CH2:39][O:40][C:41](=[O:42])[CH3:43].[Cs+:36].[Cs+:37].[O:44]=[CH:45][N:46]([CH3:47])[CH3:48].[SH:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][OH:9])[cH:6][cH:7]1>>[S:1]([c:2]1[cH:3][cH:4][c:5]([CH2:8][OH:9])[cH:6][cH:7]1)[CH:15]1[CH2:16][N:17]([C:19](=[O:20])[c:21]2[o:22][c:23](-[c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[n:24][n:25]2)[CH2:18]1

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 4677905(4-Sulfanylphenyl)methanolHCID 580430991-(5-Phenyl-1,3,4-oxadiazole-2-carbonyl)azetidin-3-yl methanesulfonate

Product 1

HCID 58043150(3-(4-(Hydroxymethyl)phenylthio)azetidin-1-yl)(5-phenyl-1,3,4-oxadiazol-2-yl)methanone

Sources & evidence

ORD record
ord-99c730bc111d4a789fb6233caf3abe91
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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