Ingvar Lagerstedt

trivalent chlorine in phosphorochloridates

1

Similar issue to #250 for instance: phenyl (benzyloxy-D-alaninyl)phosphorochloridate comes out as: `C(C1=CC=CC=C1)ON[C@H](C)C(=O)[ClH]P(OC1=CC=CC=C1)([O-])=O` would expect `C[C@H](C(OP(OC1=CC=CC=C1)(Cl)=O)=O)NOCC2=CC=CC=C2` Taken from patent EP1928475B1 Example 32 Note the trivalent Cl

http://localhost:8080/pistachio/view.html#view/10631214 rings are coloured if when not displayed, as abbreviated Ph US06589972B2 Example 6

Thio vs thiono esters

1

Opsin gives both ethyl thioacetate and ethyl thionoacetate as CC(=S)OCC, I thought the thioacetate should be CC(=O)SCC. Wikipedia agrees with me: https://en.wikipedia.org/wiki/Thioester maybe not an authoritative source

3H-1,3,4-oxadiazolin-2-one gives error: hydrogen addition at locant: 3 was requested, but this atom is not unsaturated

2

Opsin gives 1,3,4-oxadiazolin-2-one as: O1C(N=NC1)=O For every atom that I try to specify as having an extra hydrogen I get the error: hydrogen addition at locant: # was requested, but...

Technically correct: N1=CCC(C=C1)=O but would expect 1H-4-pyridone: N1C=CC(C=C1)=O for any case where the H is not specified also for alternative name: pyridine-4-one we see this is names like: 3,5-Dibromo-pyridin-4-one so...

Would it be possible to support Malonaldehyde bis(diethyl acetal) and Malonaldehyde bis(dimethyl acetal) as alternatives to 1,1,3,3-tetraethoxypropane/1,1,3,3-tetramethoxypropane. It opens up to the ability to handle some cases with 2-substitutions, such...