Well, here's a reaction that I believe could not have been predicted by ordinary bench chemists:

http://science.sciencemag.org/content/354/6319/1570

but looks like it's occurring on their bench at will.

Anybody good enough at the quantum stuff to estimate how long it would take to predict this with just the math?

OK, that's a tall order, how about just mathematically describing this now-known reaction?

If not, then estimate how long it will take until things like this can be well modeled?

I get the impression that these are extraordinary bench chemists, and advanced quantum concepts might shed additional light.