Water → N-[2-({4-[4-(3-Bromo-4-fluorophenyl)-5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl}amino)ethyl]sulfamide

HRID 316487Notes

Reaction equation

HRID 316487 reaction equation
[Br:8][c:9]1[cH:10][c:11](-[n:16]2[c:17](-[c:22]3[c:23]([NH:27][CH2:28][CH2:29][NH:30][S:31](=[O:32])(=[O:33])[NH:34][C:35](=[O:36])[O:37][C:38]([CH3:39])([CH3:40])[CH3:41])[n:24][o:25][n:26]3)[n:18][o:19][c:20]2=[O:21])[cH:12][cH:13][c:14]1[F:15].[OH2:42].[OH:1][C:2]([C:3]([F:4])([F:5])[F:6])=[O:7]>>[Br:8][c:9]1[cH:10][c:11](-[n:16]2[c:17](-[c:22]3[c:23]([NH:27][CH2:28][CH2:29][NH:30][S:31](=[O:32])(=[O:33])[NH2:34])[n:24][o:25][n:26]3)[n:18][o:19][c:20]2=[O:21])[cH:12][cH:13][c:14]1[F:15]

Participants

4

Reactant 3

HCID 962WaterHCID 6422Trifluoroacetic acidHCID 68052882tert-Butyl N-(2-((4-(4-(3-bromo-4-fluorophenyl)-5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-yl)amino)ethyl)sulfamoylcarbamate

Product 1

HCID 66605130N-[2-({4-[4-(3-Bromo-4-fluorophenyl)-5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl}amino)ethyl]sulfamide

Sources & evidence

ORD record
ord-cecd7531ba1e4913a90d7d204c88795a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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