Hydrochloric Acid → 1-(2-Chloro-4,5-difluorobenzoyl)-3-[4-(5-oxo-4,5-dihydro-[1,2,4]oxadiazol-3-yl)-2-trifluoromethoxyphenyl]urea

HRID 158670Notes

Reaction equation

HRID 158670 reaction equation
[CH3:43][C:44]#[N:45].[CH:34]([N:35]([CH2:36][CH3:37])[CH:38]([CH3:39])[CH3:40])([CH3:41])[CH3:42].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[N:6]=[C:7]=[O:8])[cH:9][c:10]([F:14])[c:11]([F:13])[cH:12]1.[ClH:15].[NH2:16][c:17]1[c:18]([O:29][C:30]([F:31])([F:32])[F:33])[cH:19][c:20](-[c:23]2[n:24][o:25][c:26](=[O:28])[nH:27]2)[cH:21][cH:22]1>>[Cl:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][C:7](=[O:8])[NH:16][c:17]2[c:18]([O:29][C:30]([F:31])([F:32])[F:33])[cH:19][c:20](-[c:23]3[n:24][o:25][c:26](=[O:28])[nH:27]3)[cH:21][cH:22]2)[cH:9][c:10]([F:14])[c:11]([F:13])[cH:12]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 6342AcetonitrileHCID 81531DiisopropylethylamineHCID 115575832-Chloro-4,5-difluorobenzoyl IsocyanateHCID 1363606253-[4-amino-3-(trifluoromethoxy)phenyl]-4H-1,2,4-oxadiazol-5-one

Product 1

HCID 1358393801-(2-Chloro-4,5-difluorobenzoyl)-3-[4-(5-oxo-4,5-dihydro-[1,2,4]oxadiazol-3-yl)-2-trifluoromethoxyphenyl]urea

Sources & evidence

ORD record
ord-0961e13e200a4fbc945b4d5b9c3e2a5b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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