Acetic Acid → 3-(5-Amino-2-chlorophenyl)-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one

HRID 662344Notes

Reaction equation

HRID 662344 reaction equation
[CH3:21][C:22](=[O:23])[OH:24].[CH3:25][CH2:26][O:27][C:28](=[O:29])[CH3:30].[Cl:1][c:2]1[c:3](-[n:11]2[c:12](=[O:20])[o:13][c:14]([C:16]([CH3:17])([CH3:18])[CH3:19])[n:15]2)[cH:4][c:5]([N+:8]([O-:9])=[O:10])[cH:6][cH:7]1.[Fe:31]>>[Cl:1][c:2]1[c:3](-[n:11]2[c:12](=[O:20])[o:13][c:14]([C:16]([CH3:17])([CH3:18])[CH3:19])[n:15]2)[cH:4][c:5]([NH2:8])[cH:6][cH:7]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 8857Ethyl AcetateHCID 23925IronHCID 142806563-(2-chloro-5-nitrophenyl)-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one

Product 1

HCID 142806573-(5-Amino-2-chlorophenyl)-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one

Sources & evidence

ORD record
ord-00dccad08f9d40378a1964e66a3f5df2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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