Potassium Cation → 4-[1-(4-chloro-3-nitrophenacyl)-1H-benzimidazol-2-yl]-furazan-3-ylamine

HRID 1222628Notes

Reaction equation

HRID 1222628 reaction equation
[C:16](=[O:17])([O-:18])[O-:19].[CH3:41][CH2:42][O:43][C:44](=[O:45])[CH3:46].[Cl:22][c:23]1[c:24]([N+:33](=[O:34])[O-:35])[cH:25][c:26]([C:27]([CH2:28][Br:29])=[O:30])[cH:31][cH:32]1.[K+:20].[K+:21].[O:36]=[CH:37][N:38]([CH3:39])[CH3:40].[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[c:2](-[c:10]2[c:11]([NH2:15])[n:12][o:13][n:14]2)[n:3]([CH2:28][C:27]([c:26]2[cH:25][c:24]([N+:33](=[O:34])[O-:35])[c:23]([Cl:22])[cH:32][cH:31]2)=[O:30])[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 27783302-Bromo-1-(4-chloro-3-nitrophenyl)ethan-1-one

Product 1

HCID 674590044-[1-(4-chloro-3-nitrophenacyl)-1H-benzimidazol-2-yl]-furazan-3-ylamine

Sources & evidence

ORD record
ord-4f652f1ade0f4c70a08afa30075726df
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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