Spaces:
Running
Running
| ,id,REACTANT,PRODUCT,REAGENT,SOLVENT,CATALYST,YIELD | |
| 0,ord-c2af606677024e008e8fb05d402e9b3b,B1C2CCCC1CCC2.C=CC1CCN(C(=O)OC(C)(C)C)C1.ClCCl.FC1(F)Oc2ccc(Br)cc2O1.N#N.O=C([O-])[O-].[K+].[K+].[Na+].[OH-],CC(C)(C)OC(=O)N1CCC(CCc2ccc3c(c2)OC(F)(F)O3)C1,Cl[Pd]Cl.[Fe+2].c1ccc(P(c2ccccc2)[c-]2cccc2)cc1.c1ccc(P(c2ccccc2)[c-]2cccc2)cc1,CN(C)C=O.O.O,Cl[Pd]Cl.[Fe+2].c1ccc(P(c2ccccc2)[c-]2cccc2)cc1.c1ccc(P(c2ccccc2)[c-]2cccc2)cc1,0.98 | |
| 1,ord-96c71ebfff6c4ee8bb6a5aa2960c2ba3,Brc1cncc(I)c1.C#C[Si](C)(C)C,C[Si](C)(C)C#Cc1cncc(Br)c1,Cl[Pd](Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1,CC#N.CCN(CC)CC,Cl[Pd](Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1,0.99 | |
| 2,ord-6e64400b2c7a4e9a8789b9e79cfcee25,Brc1ccc(-c2nc3ccccc3o2)nc1.CC1(C)OB(c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)nc2)OC1(C)C.O.O=C([O-])[O-].[Na+].[Na+],c1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4ccc(-c5nc6ccccc6o5)nc4)cn3)cc2)cc1,c1ccc([P](c2ccccc2)(c2ccccc2)[Pd]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1,C1CCOC1.CC(C)=O.ClCCl.ClCCl,c1ccc([P](c2ccccc2)(c2ccccc2)[Pd]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1,0.77 | |
| 3,ord-b77f09a6bfcb449c8320355cea96234a,Brc1ccc2ncccc2c1.Cc1ccc2c(cnn2C2CCCCO2)c1[B-](F)(F)F.[K+],Cc1ccc2c(cnn2C2CCCCO2)c1-c1ccc2ncccc2c1,C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.CC(=O)[O-].CC(=O)[O-].CCN(CC)CC.[Pd+2],C1CCOC1.CC#N.CCc1cc(CC)cc(CC)c1.CCc1cccc(CC)c1.CN(C)C=O.Cc1ccccc1.O,C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.CC(=O)[O-].CC(=O)[O-].[Pd+2],0.13 | |
| 4,ord-a78f05158222489f8516262e16c2e1d4,CC=CCOc1ccc(Cl)cc1I.CCCC[NH3+].O=C([O-])[O-].O=C[O-].[Cl-].[Na+].[Na+].[Na+],CCc1coc2ccc(Cl)cc12,CC(=O)[O-].CC(=O)[O-].[Pd+2],CN(C)C=O,CC(=O)[O-].CC(=O)[O-].[Pd+2],0.6 | |
| 5,ord-5dee9b14e71f4696a55160a9b199f823,COC(=O)[C@@H]1CCCN1C[C@@H](CO)NC(=O)OCc1ccccc1.[H][H],O=C1N[C@H](CO)CN2CCC[C@@H]12,[Pd],CO.CO,[Pd],0.85 | |
| 6,ord-414cb258bf5f49a68600ff46cab8a198,Cc1nc2ccccc2[nH]1.ClCCCCBr.[Na+].[OH-],Cc1nc2ccccc2n1CCCCCl,CCCC[N+](CCCC)(CCCC)CCCC.[Br-],ClCCl.ClCCl,CCCC[N+](CCCC)(CCCC)CCCC.[Br-],0.62 | |
| 7,ord-89b9b02c63de42c69f3741b8d60df759,Brc1ccc(-c2ccc3c(-c4ccccc4)c4ccccc4c(-c4ccccc4)c3c2)cc1.CC(C)(C)P(C(C)(C)C)C(C)(C)C.CC(C)(C)[O-].[Na+].c1ccc2c(c1)[nH]c1ccc(-c3cccc4c3oc3ccccc34)cc12,c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4ccc(-n5c6ccccc6c6cc(-c7cccc8c7oc7ccccc78)ccc65)cc4)ccc23)cc1,O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.[Pd],CCCCCC.Cc1ccccc1,O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.[Pd],0.71 | |
| 8,ord-79ba34c3a2a842aeac9844c9adfd81cd,C1COCCO1.CS(=O)(=O)c1ncc(OCC2CC2)c(Cl)n1.Cn1cc(B2OC(C)(C)C(C)(C)O2)c2c(c1=O)CCCC2.O.O=P([O-])([O-])[O-].[K+].[K+].[K+],Cn1cc(-c2nc(S(C)(=O)=O)ncc2OCC2CC2)c2c(c1=O)CCCC2,Cl[Pd]Cl.[Fe+2].c1ccc(P(c2ccccc2)[c-]2cccc2)cc1.c1ccc(P(c2ccccc2)[c-]2cccc2)cc1,CCOC(C)=O,Cl[Pd]Cl.[Fe+2].c1ccc(P(c2ccccc2)[c-]2cccc2)cc1.c1ccc(P(c2ccccc2)[c-]2cccc2)cc1,0.67 | |
| 9,ord-ff39310cbf9b4ffeae75d7f1c5107b64,COC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2.NN.O,COC(=O)c1cc2c(cc1N)OCCO2,[Pd],CO.CO,[Pd],0.5 | |
| 10,ord-3df4e020c7884aa982896480f6a21ef8,C1=COCCC1.CC(CCCCBr)(COC1CCCCO1)c1ccccc1.CC(CO)(CCCBr)c1ccccc1,CC(CCCBr)(COC1CCCCO1)c1ccccc1,Cc1ccc(S(=O)(=O)O)cc1.O,ClCCl,Cc1ccc(S(=O)(=O)O)cc1.O,0.95 | |
| 11,ord-da92b8fd5ded4564a5da0bad090429ef,CCOC(=O)C1CCN(Cc2ccccc2)CC1=O.Cl,CCOC(=O)C1CCNCC1=O.Cl,[Pd],CCO,[Pd],0.84 | |
| 12,ord-1dd27e38c75347908e354bc047bffa9d,COC(=O)c1cc2cc(C)cc([N+](=O)[O-])c2n1C(=O)OC(C)(C)C.O=C1CCC(=O)N1Br,COC(=O)c1cc2cc(CBr)cc([N+](=O)[O-])c2n1C(=O)OC(C)(C)C,CC(C)(C#N)N=NC(C)(C)C#N,ClC(Cl)(Cl)Cl,CC(C)(C#N)N=NC(C)(C)C#N,1.0 | |
| 13,ord-eb1e3da77b1a47679dbc3f0f04feb804,CC(=O)[O-].N#CC(c1ccnc(Cl)n1)c1nc2ccccc2s1.[Na+],N#CC(c1ccncn1)c1nc2ccccc2s1,[Pd],CC(=O)O,[Pd],0.13 | |
| 14,ord-652b7ae23fcd4311981e5f0157f7d978,Nc1cc2cc(Br)ccc2c(Br)n1.O=C[O-].O=C[O-].[NH4+].[NH4+],Nc1cc2cc(Br)ccc2cn1,O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.[Pd].[Pd].[Pd].[Pd],CN(C)C=O,O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.[Pd].[Pd].[Pd].[Pd],0.9 | |
| 15,ord-e2070dae8ca14929bbd39eaf3388600c,CCCCOc1c(CNC(=O)OC(C)(C)C)n(CC(C)C)c(=O)c2ccc(OCc3ccccc3)cc12,CCCCOc1c(CNC(=O)OC(C)(C)C)n(CC(C)C)c(=O)c2ccc(O)cc12,[C].[Pd],C1CCOC1.CCO,[C].[Pd],0.97 | |
| 16,ord-1c4c9374ded94ddd8102c9a833fd2784,Cn1cnc(C#N)c1.Fc1ccccc1Br,Cn1cnc(C#N)c1-c1ccccc1F.Cn1cnc(C#N)c1-c1ccccc1F,C=C[CH2-].C=C[CH2-].CC(C)(C)C(=O)[O-].CP(C)c1ccccc1.Cl[Pd+].Cl[Pd+].[K+],CCCC#N,C=C[CH2-].C=C[CH2-].CP(C)c1ccccc1.Cl[Pd+].Cl[Pd+],0.0 | |
| 17,ord-c4f8232274154e2a8a24dae87cdf7ee4,COc1ccc(N(C(=O)c2ccc(C)s2)C(=O)c2ccc(C)s2)c(Br)c1,COc1ccc2[nH]c(=O)c3sc(C)cc3c2c1,CC(C)(C)[P]([Pd][P](C(C)(C)C)(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C,,CC(C)(C)[P]([Pd][P](C(C)(C)C)(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C,0.48 | |
| 18,ord-3ec9d7738cee4b779ecd6978452b948a,CNCCNC.COc1cn(-c2cccc(Br)c2F)nc(-c2ccnn2-c2ccccc2)c1=O.O=C([O-])O.O=C1CCCCN1.O=P([O-])([O-])[O-].[K+].[K+].[K+].[Na+],COc1cn(-c2cccc(N3CCCCC3=O)c2F)nc(-c2ccnn2-c2ccccc2)c1=O,[Cu]I,C1COCCO1,[Cu]I,0.23 | |
| 19,ord-8cdfa484669a4173a9374bd739e1b02e,C1=CCCCC1.O=C(Oc1ccccc1[C@@H]1O[C@@]2(COCc3ccccc3)CO[C@@H]1[C@@]2(O)Cc1ccccc1)c1ccccc1,O=C(Oc1ccccc1[C@@H]1O[C@@]2(CO)CO[C@@H]1[C@@H]2O)c1ccccc1,[C].[OH-].[OH-].[Pd+2],CCO,[C].[OH-].[OH-].[Pd+2],0.85 | |
| 20,ord-a6fa804c926f474d9a4d3fb0992a554c,CCC(CC)(c1ccc(OCC(=O)C(C)(C)C)c(C)c1)c1ccc2sc(C(=O)O)cc2c1.COC(=O)CN.Cl.ClCCCl,CCC(CC)(c1ccc(OCC(=O)C(C)(C)C)c(C)c1)c1ccc2sc(C(=O)NCC(=O)O)cc2c1,CN(C)c1ccncc1,,CN(C)c1ccncc1,0.43 | |
| 21,ord-b28e4256e2644f609f32cb5a12358d19,C=C(C)C[C@]1(c2ccccc2)CCN([C@@H](C)c2ccc(Br)cc2)C(=O)N1.CC(C)(C)OO.CCO.Cc1ccc(S(=O)(=O)C#N)cc1.[SiH3]c1ccccc1,C[C@@H](c1ccc(Br)cc1)N1CC[C@](CC(C)(C)C#N)(c2ccccc2)NC1=O,[Co],,[Co],0.04 | |
| 22,ord-fed5b00f72254b7c8f95815d01fc8b4c,CC1(C)CC(=O)Oc2ccc(Br)cc21.Cc1ccccc1.[Na+].[OH-],C=C1CC(C)(C)c2cc(Br)ccc2O1,C[Al+]C.[CH3-].[Cl-].[Ti+3].c1cc[cH-]c1.c1cc[cH-]c1,C1CCOC1,C[Al+]C.[CH3-].[Cl-].[Ti+3].c1cc[cH-]c1.c1cc[cH-]c1,0.74 | |
| 23,ord-c514bb3cd598458da799ed29437f4961,CC1(C)O/C(=C2/C(=O)Nc3ccc(F)cc32)C=C1Br.CCOC(C)=O.O=C([O-])[O-].O=Cc1ccc(B(O)O)cc1.[K+].[K+],CC1(C)O/C(=C2/C(=O)Nc3ccc(F)cc32)C=C1c1ccc(C=O)cc1,[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1,C1CCOC1.O,[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1,0.52 | |
| 24,ord-97806c5415cd409eb317d696b2c1b264,C1CCOC1.O=C(Nc1cccc(Br)n1)C1(c2ccc3c(c2)OCO3)CC1.[Br-].[Zn+]CC1CCCCC1,O=C(Nc1cccc(CC2CCCCC2)n1)C1(c2ccc3c(c2)OCO3)CC1,Cl[Pd]Cl.[Fe+2].c1ccc(P(c2ccccc2)[c-]2cccc2)cc1.c1ccc(P(c2ccccc2)[c-]2cccc2)cc1,,Cl[Pd]Cl.[Fe+2].c1ccc(P(c2ccccc2)[c-]2cccc2)cc1.c1ccc(P(c2ccccc2)[c-]2cccc2)cc1,0.5 | |
| 25,ord-a569e66c25e6439d8b2d02d4f793c445,CCN(CC)CC.Cl.N#CC(=O)c1ccc(Cl)cc1Cl.O=C1CCCC(=O)C1,O=C1CCCC(=O)C1C(=O)c1ccc(Cl)cc1Cl,CC(=O)[O-].CC(=O)[O-].[Cl-].[Cl-].[Cu+2].[Zn+2],CCOCC.ClCCl,CC(=O)[O-].CC(=O)[O-].[Cl-].[Cl-].[Cu+2].[Zn+2],0.78 | |
| 26,ord-24ee85ae742841a4bfa0f009785a6cc5,O=C(c1ccc2[nH]c(C(=O)N3CCC(F)(F)CC3)cc2c1)N1CCC(N2CCOCC2)CC1.OB(O)c1cccc(Cl)c1.c1ccncc1,O=C(c1ccc2c(c1)cc(C(=O)N1CCC(F)(F)CC1)n2-c1cccc(Cl)c1)N1CCC(N2CCOCC2)CC1,CC(=O)[O-].CC(=O)[O-].[Cu+2],ClCCl,CC(=O)[O-].CC(=O)[O-].[Cu+2],0.64 | |
| 27,ord-a95d6e9e35984f7790a1a55dc6292199,COC(=O)c1nc(Br)c(F)cc1N.OB(O)c1ccccc1F,COC(=O)c1nc(-c2ccccc2F)c(F)cc1N,ClCCl.Cl[Pd]Cl.[Fe+2].c1ccc(P(c2ccccc2)[c-]2cccc2)cc1.c1ccc(P(c2ccccc2)[c-]2cccc2)cc1,,ClCCl.Cl[Pd]Cl.[Fe+2].c1ccc(P(c2ccccc2)[c-]2cccc2)cc1.c1ccc(P(c2ccccc2)[c-]2cccc2)cc1,0.99 | |
| 28,ord-b9347fbc2d1f439fb0b87974dc39c21e,CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21.CCc1cc(N)ncn1.N#Cc1cc(Cl)c(-c2nc3ccnc(Br)c3s2)c(Cl)c1.O=C([O-])[O-].[Cs+].[Cs+],CCc1cc(Nc2nccc3nc(-c4c(Cl)cc(C#N)cc4Cl)sc23)ncn1,O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.[Pd].[Pd],C1COCCO1,O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.[Pd].[Pd],0.28 | |
| 29,ord-669abf374db4492fa86becc5fb208313,CCc1nc(C)cc(=O)n1CCOc1ccc([N+](=O)[O-])cc1.[H][H],CCc1nc(C)cc(=O)n1CCOc1ccc(N)cc1,[Pd],C1COCCO1,[Pd],0.7 | |
| 30,ord-79571893d7044aae86289e29886b41ff,C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1Cc1cc([N+](=O)[O-])cc2ccoc12.NN.O,C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1Cc1cc(N)cc2ccoc12,[Ni],C1CCOC1.CCO,[Ni],0.87 | |
| 31,ord-b53374957af946358cd3c222fe4ba0bb,CC1(C)OB(c2ccc3c(c2)CCCO3)OC1(C)C.CCO.CCOC(=O)C(=O)c1c(C)sc(C)c1Br.O=C([O-])[O-].[Na+].[Na+],Cc1sc(C)c(-c2ccc3c(c2)CCCO3)c1C(=O)C(=O)O,[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1,Cc1ccccc1.O.O,[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1,1.0 | |
| 32,ord-419341a196524ef49e44f08dda3c0e06,C=CCOc1ccc(COCCn2ccnn2)cc1.CN1C(=O)CC(=O)N(C)C1=O,Oc1ccc(COCCn2ccnn2)cc1,c1ccc([P](c2ccccc2)(c2ccccc2)[Pd]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1,ClCCl.ClCCl,c1ccc([P](c2ccccc2)(c2ccccc2)[Pd]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1,0.59 | |
| 33,ord-c156b60e2b0d45b3b88f357c0838a8f3,Brc1ccc2ncccc2c1.Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O,Cc1ccc2c(cnn2C2CCCCO2)c1-c1ccc2ncccc2c1,CC(=O)[O-].CC(=O)[O-].CC(C)(C)P(C(C)(C)C)C(C)(C)C.O=C([O-])O.[Na+].[Pd+2],CO,CC(=O)[O-].CC(=O)[O-].CC(C)(C)P(C(C)(C)C)C(C)(C)C.[Pd+2],0.39 | |
| 34,ord-6a9fa314c63e49319d344313e3817ccb,Cc1ccc2c(cnn2C2CCCCO2)c1[B-](F)(F)F.O=S(=O)(Oc1ccc2ncccc2c1)C(F)(F)F.[K+],Cc1ccc2c(cnn2C2CCCCO2)c1-c1ccc2ncccc2c1,CC(=O)[O-].CC(=O)[O-].CC(C)(C)[O-].COc1cccc(OC)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1.[Li+].[Pd+2],CCCCCC.CCc1cc(CC)cc(CC)c1.CCc1cccc(CC)c1.CN(C)C=O.CN(C)C=O.Cc1ccccc1.O,CC(=O)[O-].CC(=O)[O-].COc1cccc(OC)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1.[Pd+2],0.11 | |
| 35,ord-1f77b54dfacd4b91acfea3bec7fc20e1,CC1(O)CCNCC1.CCN(CC)CC.C[C@H](OC(=O)C(Br)c1ccccc1)c1ccccc1,C[C@H](OC(=O)[C@@H](c1ccccc1)N1CCC(C)(O)CC1)c1ccccc1,CCCC[N+](CCCC)(CCCC)CCCC.[I-],C1CCOC1.C1CCOC1.CCOC(C)=O,CCCC[N+](CCCC)(CCCC)CCCC.[I-],0.6 | |
| 36,ord-ed45cb591b94415db1b32ac28a81a31d,COc1cc(C=O)c(F)cc1Cl.Cc1ccc(N)nc1.[C-]#[N+]C1CCCCC1,COc1cc(-c2nc3ccc(C)cn3c2NC2CCCCC2)c(F)cc1Cl,O=C(O)C(F)(F)F,CC(C)O.CC(C)O,O=C(O)C(F)(F)F,0.1 | |
| 37,ord-0092383681d845dcba430ac49717792e,CC(=O)[O-].CCOC(=O)c1cc(Cl)n2nccc2n1.[Na+],CCOC(=O)c1ccn2nccc2n1,[Pd],CCO.CCOC(C)=O,[Pd],0.78 | |
| 38,ord-bf17cc17249648a7a2825e5ddf7d6505,O=S(Cl)Cl.O=[N+]([O-])c1cc2c(O)ncnc2cc1F,O=[N+]([O-])c1cc2c(Cl)ncnc2cc1F,CN(C)C=O,,CN(C)C=O,0.94 | |
| 39,ord-de48fac1d2d04dec84902e698edeb682,CC[SiH](CC)CC.Cc1cc(C2=NCC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1Br.Cc1cc(C2=NCC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1Br.O=C([O-])[O-].[Na+].[Na+],Cc1cc(C2=NCC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C=O,Cl[Pd]Cl.[Fe+2].c1ccc(P(c2ccccc2)[c-]2cccc2)cc1.c1ccc(P(c2ccccc2)[c-]2cccc2)cc1,CN(C)C=O,Cl[Pd]Cl.[Fe+2].c1ccc(P(c2ccccc2)[c-]2cccc2)cc1.c1ccc(P(c2ccccc2)[c-]2cccc2)cc1,0.74 | |
| 40,ord-41d60ad3953644c4b04ae802bfc04e5a,C=CCO.CCN(CC)CC.O=[N+]([O-])c1ccc(Br)c(C(F)(F)F)c1,O=CCCc1ccc([N+](=O)[O-])cc1C(F)(F)F,CC(=O)[O-].CC(=O)[O-].CCCC[N+](CCCC)(CCCC)CCCC.[Cl-].[Pd+2],CN(C)C=O,CC(=O)[O-].CC(=O)[O-].CCCC[N+](CCCC)(CCCC)CCCC.[Cl-].[Pd+2],0.69 | |
| 41,ord-8afc8beb1f7840b8aba6c03887d2ef67,COc1ccc(-c2cnc(N)c(Cc3ccccc3)n2)cc1.COc1ccc2c(C(=O)Cl)cccc2c1.O,COc1ccc(-c2cnc(N(C(=O)c3cccc4cc(OC)ccc34)C(=O)c3cccc4cc(OC)ccc34)c(Cc3ccccc3)n2)cc1,CN(C)c1ccncc1,c1ccncc1,CN(C)c1ccncc1,0.68 | |
| 42,ord-a293a2555d6847cfb9346d2687aa4a50,C1CCOC1.CCN(CC)CC.COc1cc(C(=O)Nc2nc3c(OC)ccc(C4=CCN(C(=O)OC(C)(C)C)CC4)c3s2)cc(Cl)n1,COc1cc(C(=O)Nc2nc3c(OC)ccc(C4CCN(C(=O)OC(C)(C)C)CC4)c3s2)ccn1,[Pd],CO,[Pd],0.3 | |
| 43,ord-56e75ad899ba4adea278567a03433405,Brc1ccc2ncccc2c1.Cc1ccc2c(cnn2C2CCCCO2)c1[B-](F)(F)F.[K+],Cc1ccc2c(cnn2C2CCCCO2)c1-c1ccc2ncccc2c1,CC(=O)[O-].CC(=O)[O-].[Na+].[OH-].[Pd+2],CCc1cc(CC)cc(CC)c1.CCc1cccc(CC)c1.CN(C)C=O.CN(C)C=O.Cc1ccccc1.O.O,CC(=O)[O-].CC(=O)[O-].[Pd+2],0.19 | |
| 44,ord-421f24003cb04881a3e8f8edef479566,CC(=O)[Cu]C(C)=O.CCN(CC)CC.COC(=O)c1c(C)[nH]c2ccccc12.OB(O)c1ccccc1,COC(=O)c1c(C)n(-c2ccccc2)c2ccccc12,CN(C)c1ccncc1,ClCCl,CN(C)c1ccncc1,0.39 | |
| 45,ord-f97af96ff3dc4293996dd87a9db42bb9,CC(C)c1nn(Cc2ccccc2Br)c(=O)c(C(=O)NCC(=O)O)c1O.Cl.O=C([O-])[O-].OB(O)c1ccc(C(F)(F)F)cc1.[K+].[K+],CC(C)c1nn(Cc2ccccc2-c2ccc(C(F)(F)F)cc2)c(=O)c(C(=O)NCC(=O)O)c1O,c1ccc([P](c2ccccc2)(c2ccccc2)[Pd]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1,C1COCCO1.O.O,c1ccc([P](c2ccccc2)(c2ccccc2)[Pd]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1,0.46 | |
| 46,ord-952ab56552d14163b81797c4be7275fa,CC(C)(C)OC(=O)N1CCC(C)(C)c2ccc([N+](=O)[O-])cc21,CC(C)(C)OC(=O)N1CCC(C)(C)c2ccc(N)cc21,[Pd],CO,[Pd],0.95 | |
| 47,ord-804093bffa5d43049c093723ec65aa6e,Cc1ccc(N)cc1.FC(F)(F)c1ccc(Cl)cc1,Cc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1,CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(<-Nc3ccccc3-c3ccccc32)OS(=O)(=O)C(F)(F)F)c(C(C)C)c1.CN1CCCN2CCCN=C12.c1ccc2oncc2c1,CS(C)=O.CS(C)=O.CS(C)=O.CS(C)=O.CS(C)=O,CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)(C2CCCCC2)->[Pd]2(<-Nc3ccccc3-c3ccccc32)OS(=O)(=O)C(F)(F)F)c(C(C)C)c1,0.19 | |
| 48,ord-3292ea938a434474adb4a63169f04be8,CCCC(=NOCC)C1=C(O)CC(c2c(C)c(C)c(OCc3ccccc3)c(C)c2C)CC1=O,CCCC(=NOCC)C1=C(O)CC(c2c(C)c(C)c(O)c(C)c2C)CC1=O,Cl.[Pd],CCOC(C)=O,Cl.[Pd],0.3 | |
| 49,ord-45f62759dcd5421bb66c8fd1b768bbe7,FC1(F)C(F)(F)C(F)(F)C(F)(I)C(F)(F)C1(F)F.Nc1ccccc1.O=C([O-])O.O=S([O-])S(=O)[O-].[Na+].[Na+].[Na+],Nc1ccc(C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)F)cc1,CCCC[N+](CCCC)(CCCC)CCCC.O=S(=O)([O-])O,COC(C)(C)C.O,CCCC[N+](CCCC)(CCCC)CCCC.O=S(=O)([O-])O,0.68 | |
| 50,ord-7030178ac7694e1eace7144b87cfafa0,CCOC(=O)[C@H](C)Nc1ncccc1C#N.C[O-].Cl.[Na+],C[C@@H]1Nc2ncccc2CNC1=O,[Ni],CO,[Ni],0.23 | |
| 51,ord-50297983814043f68e5ed0382c170795,O=C1NC(=O)c2c1c(-c1ccccc1)cc1[nH]c3ccc(OP(=O)(OCc4ccccc4)OCc4ccccc4)cc3c21,O=C1NC(=O)c2c1c(-c1ccccc1)cc1[nH]c3ccc(OP(=O)(O)O)cc3c21,[Pd],C1CCOC1.CO,[Pd],0.71 | |
| 52,ord-72b281f722d64a2a86366b024fffcf4e,CCOCC.COC(=O)C(C)(SC)c1cccs1,COC(=O)C(C)c1cccs1,O=S(=O)([O-])[O-].[Cu+2].[Zn],CC(=O)O,O=S(=O)([O-])[O-].[Cu+2].[Zn],0.87 | |
| 53,ord-09fd3b562efe4258b5377913c5a128a3,CC(C)(C)C(=O)O.CCCCP(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2.COC(=O)c1ccc2c(c1)CCCC2(O)c1nccs1.COc1ccnc(Nc2cc(C)cc(Br)n2)c1.[Cs+].[F-],COC(=O)c1ccc2c(c1)CCCC2(O)c1ncc(-c2cc(C)cc(Nc3cc(OC)ccn3)n2)s1,CC(=O)[O-].CC(=O)[O-].[Pd+2],C1COCCO1.C1COCCO1,CC(=O)[O-].CC(=O)[O-].[Pd+2],0.52 | |
| 54,ord-5a891173b2f14da481ad4b70dab850c7,C=CC(=O)NC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1.CCO.[Cl-].[NH4+],C=CC(=O)NC1CCN(S(=O)(=O)c2ccc(N)cc2)CC1,[Fe],O,[Fe],0.51 | |
| 55,ord-947db249f38c44959a558af280c17a6a,N#Cc1cc(B(O)O)ccc1F.O.O=C([O-])[O-].O=C1C(Cc2c(Cl)cc(OS(=O)(=O)C(F)(F)F)cc2Cl)CCN1C1CCCCC1.[Na+].[Na+],N#Cc1cc(-c2cc(Cl)c(CC3CCN(C4CCCCC4)C3=O)c(Cl)c2)ccc1F,c1ccc([P](c2ccccc2)(c2ccccc2)[Pd]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1,C1CCOC1,c1ccc([P](c2ccccc2)(c2ccccc2)[Pd]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1,0.88 | |
| 56,ord-a5d240b1afd440d68f607db269eb8d83,CCN=C=NCCCN(C)C.COc1cccc(S(=O)(=O)N(CCCN(C)C)[C@@H](C(=O)OCc2ccccc2)C(C)(C)C)c1.Cl.Cl.NOC1CCCCO1.O.O.O.O.O.O.O.O.O.O.O=C([O-])O.On1nnc2cccnc21.[Na+],COc1cccc(S(=O)(=O)N(CCCN(C)C)[C@@H](C(=O)NO)C(C)(C)C)c1,[Pd],CN(C)C=O.CN(C)C=O.CO.CO,[Pd],1.0 | |
| 57,ord-ea572bd72b7c41448346a54c8f0ce405,COc1ccc(Cl)cc1.Cc1cc(C)c(B(O)O)c(C)c1,COc1ccc(-c2c(C)cc(C)cc2C)cc1,C1=C\CC/C=C\CC/1.C1=C\CC/C=C\CC/1.CP(C)C.O.O=P([O-])([O-])[O-].[K+].[K+].[K+].[Ni],C1COCCO1.C1COCCO1.C1COCCO1.C1COCCO1,C1=C\CC/C=C\CC/1.C1=C\CC/C=C\CC/1.CP(C)C.[Ni],0.0 | |
| 58,ord-4f2876eb72624720885d110d9afe8876,O=C(O)Cc1cccc(F)c1[N+](=O)[O-],O=C1Cc2cccc(F)c2N1,[Pd],CC(=O)O,[Pd],0.83 | |
| 59,ord-f70beae1ac0f46688a2b14e378fea5de,CC(C)(C)[O-].CC(C)(C)[Si](C)(C)OCC(OS(C)(=O)=O)c1ccc(Cl)c(F)c1.CSc1nccc(-c2cc[nH]c(=O)n2)n1.[K+],CSc1nccc(-c2ccn(C(CO[Si](C)(C)C(C)(C)C)c3ccc(Cl)c(F)c3)c(=O)n2)n1,CCCC[N+](CCCC)(CCCC)CCCC.[I-],C1CCOC1.C1CCOC1,CCCC[N+](CCCC)(CCCC)CCCC.[I-],0.33 | |
| 60,ord-dd4fc6ef7a154ea990b298e4c0e473d8,C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1ccc(N)nc1.Cn1nc(Cl)cc(Br)c1=O.O=C([O-])[O-].[Cs+].[Cs+],C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1ccc(Nc2cc(Cl)nn(C)c2=O)nc1,CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.[Pd].[Pd],C1COCCO1,CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.[Pd].[Pd],0.86 | |
| 61,ord-c01ebf59211542e7b8b22c41350e1260,Cc1ccc(C2CN(C)Cc3cc(B4OC(C)(C)C(C)(C)O4)ccc32)cc1.Cc1ccc(Cl)nn1.O=C([O-])[O-].[Cs+].[Cs+],Cc1ccc(C2CN(C)Cc3cc(-c4ccc(C)nn4)ccc32)cc1,Cl[Pd]Cl.[Fe+2].c1ccc(P(c2ccccc2)[c-]2cccc2)cc1.c1ccc(P(c2ccccc2)[c-]2cccc2)cc1,CN(C)C=O.O,Cl[Pd]Cl.[Fe+2].c1ccc(P(c2ccccc2)[c-]2cccc2)cc1.c1ccc(P(c2ccccc2)[c-]2cccc2)cc1,0.21 | |
| 62,ord-ad61602b94f64d8495ee716a39e6d2a1,CCCCCCc1csc2c(CCCCCC)c(C(=O)O)sc12.O=C=O.c1ccc2ncccc2c1,CCCCCCc1csc2c(CCCCCC)csc12,[Cu],CCCCCC,[Cu],0.68 | |
| 63,ord-9c5bfa45fb954b7c9fcf1a95e13440f3,CC(C)(C)[Si](C)(C)Cl.COc1ccc(F)c(-c2ccc(CO)cc2C(O)C(C)(C)C)c1,COc1ccc(F)c(-c2ccc(CO[Si](C)(C)C(C)(C)C)cc2C(O)C(C)(C)C)c1,CN(C)c1ccncc1,ClCCl,CN(C)c1ccncc1,0.96 | |
| 64,ord-490528e794064585840f9e8171a1c4ff,C1=COCCC1.Cc1cc(OC2CCCCO2)cc(CO)c1Br,Cc1cc(OC2CCCCO2)cc(COC2CCCCO2)c1Br,CC1(C)C2CCC1(CS(=O)(=O)O)C(=O)C2,ClCCl,CC1(C)C2CCC1(CS(=O)(=O)O)C(=O)C2,0.9 | |
| 65,ord-42093bc147ea48df87675a44b529ea9e,COC(=O)/C=C/c1ccc(N(Cc2ccccc2)Cc2ccccc2)nc1C(=O)OC.[BH4-].[Na+],COC(=O)CCc1ccc(N(Cc2ccccc2)Cc2ccccc2)nc1C(=O)OC,Cl[Ni]Cl.O.O.O.O.O.O,CO.[Cl-].[NH4+],Cl[Ni]Cl.O.O.O.O.O.O,0.86 | |
| 66,ord-8b9ed594e1bb490e8e63adf998a912d0,CC(C)(C)OC(=O)N1CC[C@H](O)[C@H]1CO.CC(C)(C)[Si](C)(C)Cl.CCN(CC)CC,CC(C)(C)OC(=O)N1CC[C@H](O)[C@H]1CO[Si](C)(C)C(C)(C)C,CN(C)c1ccncc1,ClCCl.ClCCl,CN(C)c1ccncc1,0.99 | |
| 67,ord-20adf5fd2c4745b282d3719f1519f23a,Brc1ccc2ncccc2c1.Cc1ccc2c(cnn2C2CCCCO2)c1[B-](F)(F)F.[K+],Cc1ccc2c(cnn2C2CCCCO2)c1-c1ccc2ncccc2c1,CC(=O)[O-].CC(=O)[O-].CN(C)c1ccc(P(C(C)(C)C)C(C)(C)C)cc1.CN(C)c1ccc(P(C(C)(C)C)C(C)(C)C)cc1.Cl[Pd]Cl.O=C([O-])O.[Na+].[Pd+2],C1CCOC1.CCc1cc(CC)cc(CC)c1.CCc1cccc(CC)c1.CN(C)C=O.Cc1ccccc1.O.O,CC(=O)[O-].CC(=O)[O-].CN(C)c1ccc(P(C(C)(C)C)C(C)(C)C)cc1.CN(C)c1ccc(P(C(C)(C)C)C(C)(C)C)cc1.Cl[Pd]Cl.[Pd+2],0.21 | |
| 68,ord-a84ce0c2384f46d9a1b1262447ac2d9e,CCOC(=O)CC(=O)OCC.COC1C=CC(OC)O1.O,CCOC(=O)C(C(=O)OCC)c1ccco1,[Cl-].[Cl-].[Zn+2],CC(=O)O,[Cl-].[Cl-].[Zn+2],0.29 | |
| 69,ord-74094cf1745040d383c9f9e1048d6de7,Brc1ccc(-c2ccc3ccc4cccc5ccc2c3c45)cc1.CC1(C)C=C(B2OC(C)(C)C(C)(C)O2)C=C2C=c3cc4c5ccccc5c5ccccc5c4cc3=C21.CCO.O=C([O-])[O-].[Na+].[Na+],CC1(C)C=C(c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc2)C=C2C=c3cc4c5ccccc5c5ccccc5c4cc3=C21,c1ccc([P](c2ccccc2)(c2ccccc2)[Pd]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1,CO.Cc1ccccc1,c1ccc([P](c2ccccc2)(c2ccccc2)[Pd]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1,0.57 | |
| 70,ord-e2a772144e774571bc6c80d27ec8d125,C1CCOC1.C=CCO[C@H]1O[C@H](COCc2ccccc2)[C@@H](O[C@@H]2O[C@H](CF)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1,C=CCOC1O[C@H](COCc2ccccc2)[C@@H](O[C@@H]2O[C@H](CF)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1,Cl[Pd]Cl,CO,Cl[Pd]Cl,0.63 | |
| 71,ord-38e4779d915e47c48c745aea7ba79a76,CCCc1c(Cc2ccc(-c3ccccc3C#N)cc2F)c(=O)n([C@H]2CC[C@H](O)CC2)c2ncnn12.CCOC(=O)C=[N+]=[N-].Cc1ccccc1,CCCc1c(Cc2ccc(-c3ccccc3C#N)cc2F)c(=O)n([C@H]2CC[C@H](OCC(C)(C)O)CC2)c2ncnn12,CC(=O)[O-].[Rh+],,CC(=O)[O-].[Rh+],0.22 | |
| 72,ord-3d6ff4ad7dda45e294602d21def90e23,CC(=O)O.CCC=O.COC(=O)CC(=O)CCl,CCC=C(C(=O)CCl)C(=O)OC,C1CCNCC1,ClCCl.ClCCl,C1CCNCC1,0.92 | |
| 73,ord-85018eaedb81478f8d3570187284f89c,CCOP(=O)(OCC)[C@@H]1SC[C@@H](CO[Si](C)(C)C(C)(C)C)S1,CCOP(=O)(OCC)[C@@H]1SC[C@@H](CO)S1,CC(=O)Cl.[Cl-].[NH4+],CO,CC(=O)Cl.[Cl-].[NH4+],0.86 | |
| 74,ord-1489de592ed543aead9b9b3cc9eda428,CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CCOC(=O)c1sc(N)nc1C(F)(F)F,CCOC(=O)c1sc(NOC(=O)OC(C)(C)C)nc1C(F)(F)F,CN(C)c1ccncc1,ClCCl,CN(C)c1ccncc1,0.92 | |
| 75,ord-cb7e6f31ffa444cfad91d75ff54f1c8b,CC(C)(C)OC(=O)N1C[C@@H](COc2c(F)cccc2[N+](=O)[O-])OC[C@H]1CO[Si](C)(C)C(C)(C)C.[H][H],CC(C)(C)OC(=O)N1C[C@@H](COc2c(N)cccc2F)OC[C@H]1CO[Si](C)(C)C(C)(C)C,[Pd],CCOC(C)=O,[Pd],1.0 | |
| 76,ord-2686b5fe071e4571b88efe2f81c589cc,CC(C)(C)OC(=O)OC(=O)[O-].[N-]=[N+]=NC(=O)N=[N+]=[N-],CC(C)(C)OC(=O)C(N)=O,[OH-].[OH-].[Pd+2],CO,[OH-].[OH-].[Pd+2],0.55 | |
| 77,ord-c1d83ba8cfd3462c853244d9e87f8ffa,CC(C)n1nc(I)c2c(N)ncnc21.COc1ccc(B(O)O)cc1.O=C([O-])[O-].[Na+].[Na+],COc1ccc(-c2nn(C(C)C)c3ncnc(N)c23)cc1,c1ccc([P](c2ccccc2)(c2ccccc2)[Pd]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1,CCO.COCCOC,c1ccc([P](c2ccccc2)(c2ccccc2)[Pd]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1,0.16 | |
| 78,ord-dd35d66336ce4bc5b4c1d0e068dfa168,O=C(OCc1ccccc1)N1CCC2(CC1)C(=O)N(Cc1cccc([N+](=O)[O-])c1)CN2c1ccccc1.[Cl-].[NH4+],Nc1cccc(CN2CN(c3ccccc3)C3(CCN(C(=O)OCc4ccccc4)CC3)C2=O)c1,[Fe],CCO.O,[Fe],0.95 | |
| 79,ord-b7d4ad900fd64b83ac3ac7883e5a67fb,Nc1c(-c2ccccn2)cccc1[N+](=O)[O-],Nc1cccc(-c2ccccn2)c1N,[Pd],CCOC(C)=O,[Pd],0.89 | |
| 80,ord-992d3e706540481abd31c86e7f5a30a9,Cc1cc(Br)sc1CO.O=C([O-])[O-].OB(O)c1ccc(C(F)(F)F)cc1.[K+].[K+],Cc1cc(-c2ccc(C(F)(F)F)cc2)sc1CO,c1ccc([P](c2ccccc2)(c2ccccc2)[Pd]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1,Cc1ccccc1,c1ccc([P](c2ccccc2)(c2ccccc2)[Pd]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1,0.48 | |
| 81,ord-9df5ea16a6b54f7287d0342b6c69c662,Cc1ccncc1N1CCNC1=O.Cn1cc(Br)c2c(C#N)cccc21.N[C@@H]1CCCC[C@H]1N.O=C([O-])[O-].[K+].[K+],Cc1ccncc1N1CCN(c2cn(C)c3cccc(C#N)c23)C1=O,I[Cu]I,C1COCCO1,I[Cu]I,0.24 | |
| 82,ord-f64a42b092c94884876b2d8c6edce61d,CN1CC=C(c2ccc(N)nn2)CC1,CN1CCC(c2ccc(N)nn2)CC1,[Pd],CCO,[Pd],0.89 | |
| 83,ord-0d04174b23454275a39535f812e1524d,CC1(C)OBOC1(C)C.CCN(CC)CC.CN(C)c1ccc(-c2cnc3c(c2)c(I)cn3S(=O)(=O)c2ccccc2)cc1.ClCCl,CN(C)c1ccc(-c2cnc3c(c2)c(B2OC(C)(C)C(C)(C)O2)cn3S(=O)(=O)c2ccccc2)cc1,Cl[Pd]Cl.[Fe+2].c1ccc(P(c2ccccc2)[c-]2cccc2)cc1.c1ccc(P(c2ccccc2)[c-]2cccc2)cc1,C1COCCO1,Cl[Pd]Cl.[Fe+2].c1ccc(P(c2ccccc2)[c-]2cccc2)cc1.c1ccc(P(c2ccccc2)[c-]2cccc2)cc1,1.0 | |
| 84,ord-ad46416b40594ec5bdb903ea60cf5bf4,CCCCCO.Nc1ccccc1C(=O)O.O=C([O-])[O-].O=[N+]([O-])c1cc(Cl)ccc1Br.[K+].[K+],O=C(O)c1ccccc1Nc1ccc(Cl)cc1[N+](=O)[O-],[Cu],,[Cu],0.83 | |
| 85,ord-dfe7f7782502427c94741fe658e539f4,CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21.CN(C)CCN.O=C([O-])[O-].O=[N+]([O-])c1cc(I)c2occc2c1.[Cs+].[Cs+],CN(C)CCNc1cc([N+](=O)[O-])cc2ccoc12,O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.[Pd].[Pd],Cc1ccccc1C,O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.[Pd].[Pd],0.44 | |
| 86,ord-b62d233adb304f30b5a36ca35fcd7b87,CC(=O)OC(c1cncc(Br)c1)C(F)(F)F.CS(=O)[O-].O=C(O)[C@@H]1CCCN1.O=C([O-])O.O=C([O-])[O-].[K+].[K+].[Na+].[Na+],CS(=O)(=O)c1cncc(C(O)C(F)(F)F)c1,I[Cu]I,CS(C)=O.O,I[Cu]I,0.17 | |
| 87,ord-e53b2ec8d81d4a98b6f257b0907e0246,CC(C)(C)[Si](C)(C)Oc1cc(C#N)ccc1NC(=S)Nc1ccccc1Br.CCN(CC)CC.CS(=O)(=O)Cl,CC(C)(C)[Si](C)(C)Oc1cc(C#N)ccc1N=C=Nc1ccccc1Br,CN(C)c1ccncc1,ClCCl,CN(C)c1ccncc1,1.0 | |
| 88,ord-097147ff6e314b5fba919dbc677dfb5a,COc1ccc(B(O)O)cn1.FC(F)(F)c1cccnc1Cl.O=C([O-])[O-].[K+].[K+],COc1ccc(-c2ncccc2C(F)(F)F)cn1,[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1,Cc1ccccc1,[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1,0.95 | |
| 89,ord-9a7a82dd9a9145ada8a907e3038be509,C1COCCO1.CO/C=C(/I)C(=O)OC.COCCOc1ccc(OCc2cc(Cl)ccc2B(O)O)cc1.O=P([O-])([O-])[O-].[K+].[K+].[K+],CO/C=C(/C(=O)OC)c1ccc(Cl)cc1COc1ccc(OCCOC)cc1,[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1,CCOC(C)=O.O,[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1,0.71 | |
| 90,ord-9f4ef94bf15a4ee19e832797fcbfc276,Brc1ccccc1-c1ccccc1.FC(F)n1ccnc1-c1ccccc1,FC(F)n1c(-c2ccccc2-c2ccccc2)cnc1-c1ccccc1,C=CC[Pd]Cl.C=CC[Pd]Cl.CC(C)(C)C(=O)[O-].CCCCP(CCCC)CCCC.[K+],CC(=O)N(C)C.CC(=O)N(C)C.CC(=O)N(C)C,C=CC[Pd]Cl.C=CC[Pd]Cl.CCCCP(CCCC)CCCC,0.06 | |
| 91,ord-3fc705ee410b4deab1cf90242dd2b028,O=C(O)Cc1ccc(-c2ccccc2)cc1[N+](=O)[O-],O=C1Cc2ccc(-c3ccccc3)cc2N1,[Fe],CC(=O)O,[Fe],0.93 | |
| 92,ord-e24b7b3e53074286a14395f6e069f883,O=[N+]([O-])c1nc[nH]n1.OB(O)c1cccc(C(F)(F)F)c1.c1ccncc1,O=[N+]([O-])c1ncn(-c2cccc(C(F)(F)F)c2)n1,CC(=O)[O-].CC(=O)[O-].[Cu+2],ClCCl,CC(=O)[O-].CC(=O)[O-].[Cu+2],0.49 | |
| 93,ord-16b2582c09fe4682a6b4b6a8ce6f6f3b,C=C(C)CN(C(C)=O)c1cc([N+](=O)[O-])ccc1Br.CC(=O)[O-].O=C[O-].[Na+].[Na+],CC(=O)N1CC(C)(C)c2ccc([N+](=O)[O-])cc21,CC(=O)[O-].CC(=O)[O-].CC[N+](CC)(CC)CC.O.[Cl-].[Pd+2],CN(C)C=O,CC(=O)[O-].CC(=O)[O-].CC[N+](CC)(CC)CC.O.[Cl-].[Pd+2],0.88 | |
| 94,ord-9385291980c14709b3314e8c4eac0620,CCN(C(C)C)C(C)C.CCN=C=NCCCN(C)C.Cl.O=C(O)/C=C/c1cnc2c(c1)CCC(=O)N2.O=C(O)C(F)(F)F.c1ccc2oc([C@H]3CCCN3)nc2c1,O=C1CCc2cc(/C=C/C(=O)N3CCCCC3c3nc4ccccc4o3)cnc2N1,CN(C)c1ccncc1,CN(C)C=O,CN(C)c1ccncc1,0.13 | |
| 95,ord-6114c9b5157c4a06afa58a4a0bff2316,CN(C)CC(=O)O.COc1cccc(F)c1O.Cl.Fc1ccc(I)cc1.O=C([O-])[O-].[Cs+].[Cs+],COc1cccc(F)c1Oc1ccc(F)cc1,[Cu],C1COCCO1,[Cu],0.21 | |
| 96,ord-3351aa586f3a40cc8b5aa2c4f0d2a2eb,Brc1ccc2nc(N3CCN(C4CC4)CC3)sc2c1.CC(N)=O.CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21.O=C([O-])[O-].[Cs+].[Cs+],CC(=O)Nc1ccc2nc(N3CCN(C4CC4)CC3)sc2c1,CC(=O)[O-].CC(=O)[O-].[Pd+2],C1COCCO1.O,CC(=O)[O-].CC(=O)[O-].[Pd+2],0.24 | |
| 97,ord-5b335e29ecd2454d93b69f994db21e79,CC(C)(Cc1cnc2c(Br)cccn12)[N+](=O)[O-].O=C([O-])[O-].OB(O)c1cccs1.[Na+].[Na+],CC(C)(Cc1cnc2c(-c3cccs3)cccn12)[N+](=O)[O-],c1ccc([P](c2ccccc2)(c2ccccc2)[Pd]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1,C1COCCO1,c1ccc([P](c2ccccc2)(c2ccccc2)[Pd]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1,1.0 | |
| 98,ord-a1b4e2bb9232496f86833446bc1afce1,Brc1cccnc1.CC1(C)CN(c2ccc3ncsc3c2)C(=O)N1.N[C@@H]1CCCC[C@H]1N.O=P([O-])([O-])[O-].[K+].[K+].[K+],CC1(C)CN(c2ccc3ncsc3c2)C(=O)N1c1cccnc1,I[Cu]I,C1COCCO1,I[Cu]I,0.11 | |
| 99,ord-ef50fb1edb404225bc2416be0fd42b65,O=C(NC1CN2CCC1CC2)c1cccc2oc(-c3ccc(I)cc3)nc12.O=C([O-])[O-].OB(O)c1ccccc1.[Na+].[Na+],O=C(NC1CN2CCC1CC2)c1cccc2oc(-c3ccc(-c4ccccc4)cc3)nc12,c1ccc([P](c2ccccc2)(c2ccccc2)[Pd]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1,Cc1ccccc1,c1ccc([P](c2ccccc2)(c2ccccc2)[Pd]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1,0.78 | |
| 100,ord-d685ae2873e64b72a0784c5ddba6999a,C1=CCCCC1.CC(Cc1cccc(C(=O)OCc2ccccc2)c1O)C[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C,CC(Cc1cccc(C(=O)O)c1O)C[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C,[Pd],CCO,[Pd],0.78 | |
| 101,ord-4c25b497c6ec4d309c397d2507c8f033,CC(C)(C)OC(=O)N1CCNCC1.CC(C)(C)[O-].CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1.CC1C(=O)N(COCC[Si](C)(C)C)N=C2COc3ccc(Br)cc3N21.[Na+],CC1C(=O)N(COCC[Si](C)(C)C)N=C2COc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3N21,CC(=O)O[Pd]OC(C)=O,Cc1ccccc1,CC(=O)O[Pd]OC(C)=O,0.33 | |
| 102,ord-f94786e6a22c4c27900d6b1cbb159b5e,CC(C)c1cc(C(C)C)c(S(=O)(=O)Cl)c(C(C)C)c1.CCN(CC)CC.COc1ccc([N+](=O)[O-])c([C@@H](OCc2cn([C@H]3C[C@@](O)([Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O3)c(=O)[nH]c2=O)C(C)(C)C)c1,COc1ccc([N+](=O)[O-])c([C@@H](OCc2cn([C@H]3C[C@@](O)([Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O3)c(=O)nc2N)C(C)(C)C)c1,CN(C)c1ccncc1,ClCCl,CN(C)c1ccncc1,0.65 | |
| 103,ord-7a092c57e7834c9a9cddcb7260af09a9,CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21.CCS(=O)(=O)c1ccc(N)nc1.Cn1nc(Cl)cc(Br)c1=O.O=C([O-])[O-].[Cs+].[Cs+],CCS(=O)(=O)c1ccc(Nc2cc(Cl)nn(C)c2=O)nc1,O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.[Pd].[Pd],C1COCCO1.ClCCl,O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.[Pd].[Pd],0.25 | |
| 104,ord-7ba08394993f4086bd0ff9b487d332b6,C[C@@H]1CCc2nc(S)nc(O)c21.[NH4+].[OH-],C[C@@H]1CCc2ncnc(O)c21,[Ni],O,[Ni],0.99 | |
| 105,ord-37e1a8f0a8ab45e294a38778ad8848be,CC(=O)N(C)C.O=C1CCCCN1c1ccc(N2CCc3c(C(F)(F)F)nn(-c4ccc(F)c(Cl)c4)c3C2=O)cc1,N#Cc1cc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(N4CCCCC4=O)cc2)CC3)ccc1F,O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.[C-]#N.[C-]#N.[Fe+2].[Pd].[Pd].[Zn+2].[Zn].c1ccc(P(c2ccccc2)[c-]2cccc2)cc1.c1ccc(P(c2ccccc2)[c-]2cccc2)cc1,,O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.[C-]#N.[C-]#N.[Fe+2].[Pd].[Pd].[Zn+2].[Zn].c1ccc(P(c2ccccc2)[c-]2cccc2)cc1.c1ccc(P(c2ccccc2)[c-]2cccc2)cc1,0.5 | |
| 106,ord-d5751a6de9ce4bea980568f8bdfecde6,CC(=O)Cl.Cc1c(Br)c(F)c(O)c(N)c1C#N.[Cl-].[NH4+],Cc1nc2c(C#N)c(C)c(Br)c(F)c2o1,CCN(C(C)C)C(C)C,CCOC(C)=O,CCN(C(C)C)C(C)C,0.73 | |
| 107,ord-3cac9ca75bf34bae9d8605b4ace7a1c5,CC(C)(C)[O-].CC(C)N1CCNCC1.COc1cc(Br)cc(C2OCCCO2)c1.Cl.[Na+].[Na+].[OH-].c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1,COc1cc(C=O)cc(N2CCN(C(C)C)CC2)c1,O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.[Pd].[Pd],Cc1ccccc1,O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.[Pd].[Pd],0.27 | |
| 108,ord-b146ca9198c348cca63bcac068757137,COCOc1cc(OC)ccc1I.O=C1CCC(=O)N1Br,COCOc1cc(OC)c(Br)cc1I,Cc1c(C(C)(C)C)cc(O)cc1C(C)(C)C,CC#N,Cc1c(C(C)(C)C)cc(O)cc1C(C)(C)C,0.76 | |
| 109,ord-50c61014210e4234b91331351ce47941,CCOCOCC.OCC(Cl)CCl,CCOCOCC(Cl)CCl,Cc1ccccc1S(=O)(=O)O.O,,Cc1ccccc1S(=O)(=O)O.O,0.69 | |
| 110,ord-f252f2d4246c4459989daae36b6c6aae,CC1(C)OB(c2ccnc(N3CCOCC3)c2)OC1(C)C.Cc1nc(NC(=O)NC(=O)C(C)C)ccc1Oc1ccnc(Cl)c1.O=C([O-])[O-].[K+].[K+],Cc1nc(NC(=O)NC(=O)C(C)C)ccc1Oc1ccnc(-c2ccnc(N3CCOCC3)c2)c1,c1ccc([P](c2ccccc2)(c2ccccc2)[Pd]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1,C1COCCO1.O,c1ccc([P](c2ccccc2)(c2ccccc2)[Pd]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1,0.28 | |
| 111,ord-e3950b01d3ad49e3a039c16486e0eb29,CC(C)(C)[O-].NC1CCOCC1.O=C(NCC(O)CN1CCc2ccccc2C1)c1cncc(Br)c1.[Na+].c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1,O=C(NCC(O)CN1CCc2ccccc2C1)c1cncc(NC2CCOCC2)c1,O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.[Pd].[Pd],C1COCCO1,O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.[Pd].[Pd],0.24 | |