Hydrochloric Acid → HCID 18412339, compound

HRID 50217Notes

Reaction equation

HRID 50217 reaction equation
[C:1]1([N:7]([CH2:30][CH2:31][C:32]([O:34][CH2:35][CH3:36])=[O:33])[C:8]([C:10]2[CH:11]=[CH:12][C:13]3[S:17][C:16]([CH2:18][N:19]([C:21]4[CH:26]=[CH:25][C:24]([C:27]#[N:28])=[CH:23][CH:22]=4)[CH3:20])=[N:15][C:14]=3[CH:29]=2)=[O:9])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[ClH:37].C(O)C.C(=O)([O-])[O-].[NH4+:45].[NH4+]>C(O)(=O)C.C(Cl)Cl.C(O)C>[ClH:37].[C:1]1([N:7]([CH2:30][CH2:31][C:32]([O:34][CH2:35][CH3:36])=[O:33])[C:8]([C:10]2[CH:11]=[CH:12][C:13]3[S:17][C:16]([CH2:18][N:19]([C:21]4[CH:22]=[CH:23][C:24]([C:27](=[NH:45])[NH2:28])=[CH:25][CH:26]=4)[CH3:20])=[N:15][C:14]=3[CH:29]=2)=[O:9])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1

Participants

7

Reactant 4

HCID 313Hydrochloric AcidHCID 702EthanolHCID 517111Ammonium CarbonateHCID 544508072-[N-(4-cyanophenyl)-N-me-thylaminomethyl]benzothiazol-5-yl-carboxylic acid-N-phenyl-N-(2-ethoxycarbonylethyl)amide

Product 1

HCID 18412339HCID 18412339, compoundYield 73%

Reagents, catalysts & solvents 2

HCID 176Acetic AcidCatalystHCID 21584144Dichloromethane ethanolSolvent

Procedure

Prepared analogously to Example 9 from 2-[N-(4-cyanophenyl)-N-me-thylaminomethyl]benzothiazol-5-yl-carboxylic acid-N-phenyl-N-(2-ethoxycarbonylethyl)amide, ethanolic hydrochloric acid, ethanol, and ammonium carbonate. Yield: 73% of theory, C28H29N5O3S (515.64); Rf value: 0.29 (silica gel; methylene chloride/ethanol=4:1+a few drops of acetic acid); EKA mass spectrum: (M+H)+=516.

Sources & evidence

ORD record
ord-8955d7cbadd8406d82da5f4ab96e4ac1
Source dataset
uspto-grants-2004_03
Patent number
US06710055B2

Reaction notes

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