home← all results complex #2

Complex #2 — Ru(2) [Ru-Cur,7,[(η6-p-Cymene) Ru(Curc)Cl],Ru‐Cur]

GT: {"O": 1} → Top-1: {"O": 2}
rdmetallics.net (363)Sequential multi-lig (7058)Single-ligand (939)
33
Candidates
{"O": 1}
Ground Truth
{"O": 2}
Top-1 Prediction
0.780
Match Score
⬇ MOL (coordinated) Raw MOL 🔬 3D Viewer Complex detail
#1 TOP-1 0.78 ± 0.34
COc1cc(/C=C/C2=CC(/C=C/c3ccc(O)c(OC)c3)=[O]->[Ru+][O]2)ccc1O
#1 TOP-1 0.23 ± 0.40
COc1cc(/C=C/C2=CC(/C=C/c3ccc(O)c(OC)c3)=[O]->[Ru+]3([O]2)<-[cH]2c(C)ccc(C(C)C)[cH]->32)ccc1O
#2 0.76 ± 0.30
COc1cc(/C=C/C2/C=C(/C=C/c3ccc(O)c(OC)c3)[O][Ru+]<-[O]=2)ccc1O
#2 0.20 ± 0.45
COc1cc(/C=C/C2=CC(/C=C/c3ccc(O)c(OC)c3)=[O]->[Ru+]34567([O]2)<-[cH]2[cH]->3[c]->4(C(C)C)[cH]->5[cH]-...
#3 0.45 ± 0.37
COc1cc(/C=C/C(=O)/C=C(/C=C/c2ccc(O)c(OC)c2)[O][Ru+])ccc1O
#3 0.04 ± 0.10
COc1cc(/C=C/C2=CC(/C=C/c3ccc(O)c(OC)c3)=[O]->[Ru+]([O]2)<-[cH]2cc(C)ccc2C(C)C)ccc1O
#4 0.10 ± 0.19
COc1cc(/C=C/C([O-])=C/C(=O)[CH]2[Ru+2][CH]2c2ccc(O)c(OC)c2)ccc1O
#4 0.02 ± 0.04
COc1cc(/C=C/C2=CC(/C=C/c3ccc(O)c(OC)c3)=[O]->[Ru+]([O]2)<-[cH]2cc(C(C)C)ccc2C)ccc1O
#5 0.01 ± 0.01
COc1cc(/C=C/C(/C=C([O-])/C=C/c2ccc(O)c(OC)c2)=[O]->[Ru+2])ccc1O
#6 0.01 ± 0.01
COc1cc(/C=C/C2=CC(/C=C/c3ccc(O)c(OC)c3)=[O]->[Ru+2]<-[O-]2)ccc1O
#7 0.00 ± 0.00
COc1cc(/C=C/C(=O)/C=C(\[O-])[CH]2[Ru+2][CH]2c2ccc(O)c(OC)c2)ccc1O
#8 0.00 ± 0.00
COc1cc(/C=C/C(=O)/C=C([O-])/C=C/c2ccc([OH]->[Ru+2])c(OC)c2)ccc1O
#9 0.00 ± 0.00
COc1cc(/C=C/C([O-])=C/C(=O)/C=C/c2ccc([OH]->[Ru+2])c(OC)c2)ccc1O
#10 0.00 ± 0.00
COc1cc(/C=C/C(=O)/C=C(/C=C/c2ccc(O)c(OC)c2)[O-]->[Ru+2])ccc1O
#11 0.00 ± 0.00
COc1cc2/C=C/C(=O)/C=C([O-])/C=C/c3ccc([OH]->[Ru+2]<-[OH]c1cc2)c(OC)c3
#12 0.00 ± 0.00
COc1cc(/C=C/C([O-])=C/[C]2(/C=C/c3ccc(O)c(OC)c3)[O][Ru+2]2)ccc1O
#13 0.00 ± 0.00
COc1cc(/C=C/C([O-])=C/C(=O)/C=C/c2cc(OC)c(O)[cH]3->[Ru+2]<-[cH]23)ccc1O
#14 0.00 ± 0.00
COc1cc(/C=C/C(=O)/C=C([O-])/C=C/c2cc(OC)c(O)[cH]3->[Ru+2]<-[cH]23)ccc1O
#15 0.00 ± 0.00
COc1cc(/C=[CH](->[Ru+2])/C(=O)/C=C([O-])/C=C/c2ccc(O)c(OC)c2)ccc1O
#16 0.00 ± 0.00
COc1cc2/C=C/C(=O)/C=C([O-])/C=C/c3ccc(O)c(OC)[cH]3->[Ru+2]3<-[cH]2[cH]->3c1O
#17 0.00 ± 0.00
COc1cc2/C=C/C([O-])=C/C(=O)/C=C/c3ccc(O)c(OC)[cH]3->[Ru+2]3<-[cH]2[cH]->3c1O
#18 0.00 ± 0.00
COc1cc2/C=C/C([O-])=C/C(=O)/C=C/c3cc(OC)c(O)[cH]4->[Ru+2](<-[cH]2cc1O)<-[cH]34
#19 0.00 ± 0.00
COc1cc(/C=C/C(=O)/[CH](->[Ru+2])=C([O-])/C=C/c2ccc(O)c(OC)c2)ccc1O
#20 0.00 ± 0.00
COc1cc2/C=C/C(=O)/C=C([O-])/C=C/c3cc(OC)c(O)[cH]4->[Ru+2](<-[cH]2cc1O)<-[cH]34
#21 0.00 ± 0.00
COc1cc2/C=C/C([O-])=C/C(=O)/C=C/c3cc(OC)c(O)[cH]4->[Ru+2](<-[cH](c2)c1O)<-[cH]34
#22 0.00 ± 0.00
COc1cc2/C=C/C(=O)/C=C([O-])/C=C/c3cc(OC)c(O)[cH]4->[Ru+2](<-[cH](c2)c1O)<-[cH]34
#23 0.00 ± 0.00
COc1cc(/C=C/C(=O)/C=C([O-])/C=C/c2ccc(O)c(OC)[cH]2->[Ru+2])ccc1O
#24 0.00 ± 0.00
COc1cc(/C=C/C([O-])=C/C(=O)/C=C/c2ccc(O)c(OC)[cH]2->[Ru+2])ccc1O
#25 0.00 ± 0.00
COc1cc(/C=C/C(=O)/C=C([O-])/C=C/c2cc(OC)c(O)c[cH]2->[Ru+2])ccc1O
#26 0.00 ± 0.00
COc1cc(/C=C/C([O-])=C/C(=O)/C=C/c2cc(OC)c(O)c[cH]2->[Ru+2])ccc1O
#27 0.00 ± 0.00
COc1cc(/C=C/C(=O)/C=C([O-])/C=C/c2cc(OC)c(O)[cH](->[Ru+2])c2)ccc1O
#28 0.00 ± 0.00
COc1cc(/C=C/C([O-])=C/C(=O)/C=C/c2cc(OC)c(O)[cH](->[Ru+2])c2)ccc1O
#29 0.00 ± 0.00
COc1cc(C=[CH](->[Ru+2])/C([O-])=C/C(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O