Potassium Cation → 1-[2-(4-Amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-4-phenylbut-3-en-2-one

HRID 123308Notes

Reaction equation

HRID 123308 reaction equation
[C:16](=[O:17])([O-:18])[O-:19].[CH3:39][CH2:40][O:41][C:42](=[O:43])[CH3:44].[Cl:22][CH2:23][C:24]([CH:25]=[CH:26][c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1)=[O:33].[K+:20].[K+:21].[O:34]=[CH:35][N:36]([CH3:37])[CH3:38].[nH:1]1[c:2](-[c:10]2[c:11]([NH2:15])[n:12][o:13][n:14]2)[n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2>>[n:1]1([CH2:23][C:24]([CH:25]=[CH:26][c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)=[O:33])[c:2](-[c:10]2[c:11]([NH2:15])[n:12][o:13][n:14]2)[n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 7385314-(1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amineHCID 217948981-Chloro-4-phenyl-3-buten-2-one

Product 1

HCID 674603411-[2-(4-Amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-4-phenylbut-3-en-2-one

Sources & evidence

ORD record
ord-c190d31c6e1246088535d8023da1d453
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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