Potassium Cation → 1-ethyl-6-(5-isoquinolylsulfanyl)-2-methyl-5-nitro-1H-benzo[d]imidazole

HRID 169632

Reaction equation

HRID 169632 reaction equation
[C:28](=[O:29])([O-:30])[O-:31].[Cl:12][c:13]1[c:14]([N+:25](=[O:26])[O-:27])[cH:15][c:16]2[c:17]([n:18]([CH2:22][CH3:23])[c:19]([CH3:21])[n:20]2)[cH:24]1.[K+:32].[K+:33].[O:34]=[CH:35][N:36]([CH3:37])[CH3:38].[cH:1]1[n:2][cH:3][cH:4][c:5]2[c:6]([SH:11])[cH:7][cH:8][cH:9][c:10]12>>[cH:1]1[n:2][cH:3][cH:4][c:5]2[c:6]([S:11][c:13]3[c:14]([N+:25](=[O:26])[O-:27])[cH:15][c:16]4[c:17]([n:18]([CH2:22][CH3:23])[c:19]([CH3:21])[n:20]4)[cH:24]3)[cH:7][cH:8][cH:9][c:10]12

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 110519635-IsoquinolinethiolHCID 218469466-chloro-1-ethyl-2-methyl-5-nitro-1H-benzo[d]imidazole

Product 1

HCID 218469621-ethyl-6-(5-isoquinolylsulfanyl)-2-methyl-5-nitro-1H-benzo[d]imidazole

Sources & evidence

ORD record
ord-e6b247304e3949489dbda87aae567065
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

Loading…