Problems with warheads about fragmenstein HOT 1 CLOSED

I had written something about covalent residues.

I am not sure why Victor.combine is even attempting a warhead conversion. Even if it were CC(=O)NCCC1=C2C=C(F)C=CC2N=C1 is not a reactive compound (ClCC(=O).. or C=CC(=O).. are). So I am glad you got to the bottom of it.

I should stress though that there is a reason why the warhead definition is *CC(=O) as opposed to *CC(=O)N —I thought I saw a msg about it. This is to allow the nitrogen to become a tertiary amine without being stopped for wanting to modify a warhead. Also, say the conversion of ClCC(=O)N(C)C to *CC(=O)N(C)C causes drama regardless of how clean the SMART string is. It's simpler just making way ClCC(=O) the warhead.
Furthermore, the nitrogen is not involved in any bonding so optional restrains aren't called for.

from fragmenstein.