Hydrochloric Acid → HCID 18412489, compound

HRID 50359Notes

Reaction equation

HRID 50359 reaction equation
[CH3:1][N:2]1[CH:6]=[C:5]([N:7]([CH2:31][CH2:32][C:33]([O:35][CH2:36][CH3:37])=[O:34])[S:8]([C:11]2[CH:30]=[CH:29][C:14]3[N:15]([CH3:28])[C:16]([CH2:18][NH:19][C:20]4[CH:25]=[CH:24][C:23]([C:26]#[N:27])=[CH:22][CH:21]=4)=[N:17][C:13]=3[CH:12]=2)(=[O:10])=[O:9])[CH:4]=[N:3]1.[ClH:38].C(O)C.C(=O)([O-])[O-].[NH4+:46].[NH4+]>ClCCl.C(O)C>[ClH:38].[CH3:1][N:2]1[CH:6]=[C:5]([N:7]([CH2:31][CH2:32][C:33]([O:35][CH2:36][CH3:37])=[O:34])[S:8]([C:11]2[CH:30]=[CH:29][C:14]3[N:15]([CH3:28])[C:16]([CH2:18][NH:19][C:20]4[CH:21]=[CH:22][C:23]([C:26](=[NH:46])[NH2:27])=[CH:24][CH:25]=4)=[N:17][C:13]=3[CH:12]=2)(=[O:9])=[O:10])[CH:4]=[N:3]1

Participants

6

Reactant 4

HCID 313Hydrochloric AcidHCID 702EthanolHCID 517111Ammonium CarbonateHCID 184127141-methyl-2-[N-(4-cyanophenyl)aminomethyl]benzimidazol-5-yl-sulfonic acid-N-(1-methylpyrazol-4-yl)-N-(2-ethoxycarbonylethyl)amide

Product 1

HCID 18412489HCID 18412489, compoundYield 38%

Reagents, catalysts & solvents 1

HCID 21584144Dichloromethane ethanolSolvent

Procedure

Prepared analogously to Example 25d from 1-methyl-2-[N-(4-cyanophenyl)aminomethyl]benzimidazol-5-yl-sulfonic acid-N-(1-methylpyrazol-4-yl)-N-(2-ethoxycarbonylethyl)amide, ethanolic hydrochloric acid, ethanol, and ammonium carbonate. Yield: 38% of theory, C25H30N8O4S (538.6); Rf value: 0.09 (silica gel; dichloromethane/ethanol=9:1); EKA mass spectrum: (M+H)+=539.

Sources & evidence

ORD record
ord-6deea76cddfa47e9a362db36e2a01fa5
Source dataset
uspto-grants-2004_03
Patent number
US06710055B2

Reaction notes

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