Hydrochloric Acid → 1-(2-chloro-4-fluorobenzoyl)-3-(2-methoxy-4-(5-methoxy-2-oxo-3H-[1,3,4]-oxadiazol-3-yl)phenyl)urea

HRID 157700Notes

Reaction equation

HRID 157700 reaction equation
[CH3:15][O:16][c:17]1[n:18][n:19](-[c:23]2[cH:24][c:25]([O:30][CH3:31])[c:26]([NH2:29])[cH:27][cH:28]2)[c:20](=[O:22])[o:21]1.[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[CH3:39][C:40]#[N:41].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[N:6]=[C:7]=[O:8])[cH:9][cH:10][c:11]([F:13])[cH:12]1.[ClH:14]>>[Cl:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][C:7](=[O:8])[NH:29][c:26]2[c:25]([O:30][CH3:31])[cH:24][c:23](-[n:19]3[n:18][c:17]([O:16][CH3:15])[o:21][c:20]3=[O:22])[cH:28][cH:27]2)[cH:9][cH:10][c:11]([F:13])[cH:12]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 6342AcetonitrileHCID 8471TriethylamineHCID 11521269Benzoyl isocyanate, 2-chloro-4-fluoro-HCID 218838703-(4-Amino-3-methoxyphenyl)-5-methoxy-1,3,4-oxadiazol-2-one

Product 1

HCID 218838601-(2-chloro-4-fluorobenzoyl)-3-(2-methoxy-4-(5-methoxy-2-oxo-3H-[1,3,4]-oxadiazol-3-yl)phenyl)urea

Sources & evidence

ORD record
ord-97955ae4d5034c3781a4b009b40e9a75
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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