Multiple attachment points in markush

Hi,

Could you please tell me on how to connect a ring substituent to markush.

I have a pyridine ring with two substituents which are thiophene and N-methylpiperidine. I tried to connect them with two attachment points, and when used the root structure "pyridine" gets changed to "azepine". Could you enlighten me on this.

Thanks

Hi Yogitha,

 

Please see the attached file. Do you need something like this?

Where do you need multiple attachment points?

 

Best regards,

Szabolcs

Hi,

Please tell us which structures you would like to represent.

Would you like to sketch a markush representing the attached two molecules?

Bye,

Robert

rwagner wrote:

Hi, Please tell us which structures you would like to represent. Would you like to sketch a markush representing the attached two molecules? Bye, Robert

Hi,

Yes, exactly. The result after enumeration should look similar to the attached two molecules, but I could not see this. While performing enumeration the root structure "pyridine" changes to "azepine" and the result molecules contains azepine, attached to thiophene. Please see the attached file.

Thanks in advance,

Yogitha

Hi,

 

An azepine was generated because you have to take into account the ring bond inside the Rgroup definition. This is the bond between the two attachment points.

However the drawing is a bit more complicated because one definition attaches to a double bond while the other to a single bond (in Kekule). Hence two ring bonds need to be present in the definition. 4 ring bonds are in the root and 2 ring bonds in the definitions.

See attached file tMarkush.mrv.

In aromatized form both rings attach to aromatic bond, and the drawing is simpler.5 ring bonds are in the root and one in the definition.

See tMarkushAromatized.mrv

 

Bye,

Robert

rwagner wrote:

Hi,   An azepine was generated because you have to take into account the ring bond inside the Rgroup definition. This is the bond between the two attachment points. However the drawing is a bit more complicated because one definition attaches to a double bond while the other to a single bond (in Kekule). Hence two ring bonds need to be present in the definition. 4 ring bonds are in the root and 2 ring bonds in the definitions. See attached file tMarkush.mrv. In aromatized form both rings attach to aromatic bond, and the drawing is simpler.5 ring bonds are in the root and one in the definition. See tMarkushAromatized.mrv   Bye, Robert

Hi,

Thanks much for that.

Yogitha