Hydrochloric Acid → 2-[[4-[2-(4-chlorophenyl)ethylsulfonyl]piperazin-1-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole

HRID 160036

Reaction equation

HRID 160036 reaction equation
[C:27](=[O:28])([O-:29])[O-:30].[CH3:3][C:4]1([CH2:15][N:16]2[CH2:17][CH2:18][NH:19][CH2:20][CH2:21]2)[CH2:5][n:6]2[c:7]([n:9][c:10]([N+:12](=[O:13])[O-:14])[cH:11]2)[O:8]1.[Cl:33][c:34]1[cH:35][cH:36][c:37]([CH2:40][CH2:41][S:42](=[O:43])(=[O:44])[Cl:45])[cH:38][cH:39]1.[ClH:1].[ClH:2].[K+:31].[K+:32].[O:22]=[CH:23][N:24]([CH3:25])[CH3:26].[OH2:46]>>[CH3:3][C:4]1([CH2:15][N:16]2[CH2:17][CH2:18][N:19]([S:42]([CH2:41][CH2:40][c:37]3[cH:36][cH:35][c:34]([Cl:33])[cH:39][cH:38]3)(=[O:43])=[O:44])[CH2:20][CH2:21]2)[CH2:5][n:6]2[c:7]([n:9][c:10]([N+:12](=[O:13])[O-:14])[cH:11]2)[O:8]1

Participants

8

Reactant 7

HCID 313Hydrochloric Acid2×HCID 813Potassium Cation2×HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 27577802-(4-Chlorophenyl)ethane-1-sulfonyl chlorideHCID 230802552-methyl-6-nitro-2-(piperazin-1-ylmethyl)-3H-imidazo[2,1-b][1,3]oxazole

Product 1

HCID 694816972-[[4-[2-(4-chlorophenyl)ethylsulfonyl]piperazin-1-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole

Sources & evidence

ORD record
ord-24777583b86345a8a1c35a64703c334f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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