Mol-LLaMA SFT
Collection
RCR_RP: Reagents Prediction; RCR_CP: Catalyst Prediction; RCR_SP: Solvent Prediction; HTE_RAS: Reagent Selection
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17 items
•
Updated
instruction
stringlengths 220
702
| input
stringclasses 1
value | output
stringclasses 10
values |
|---|---|---|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: CC(C)(C)P(C(C)(C)C)C(C)(C)C
solvent: CC#N
base: [OH-].[Na+]
Reactants list for selection:
O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F,Brc1ccc2ncccc2c1,Ic1ccc2ncccc2c1
Optimal reactant:
| 2 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: c1ccc(P(c2ccccc2)c2ccccc2)cc1
solvent: CC#N
base: [OH-].[Na+]
Reactants list for selection:
O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F,Ic1ccc2ncccc2c1,Brc1ccc2ncccc2c1
Optimal reactant:
| 0 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: CN(C)Cc1ccc(P(C(C)(C)C)C(C)(C)C)cc1
solvent: CC#N
base: [OH-].[Na+]
Reactants list for selection:
O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F,Brc1ccc2ncccc2c1,Ic1ccc2ncccc2c1
Optimal reactant:
| 2 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: C1CCC(P(C2CCCCC2)C2CCCCC2)CC1
solvent: CC#N
base: [OH-].[Na+]
Reactants list for selection:
Brc1ccc2ncccc2c1,O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F,Ic1ccc2ncccc2c1
Optimal reactant:
| 1 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: Cc1ccccc1P(c1ccccc1C)c1ccccc1C
solvent: CC#N
base: [OH-].[Na+]
Reactants list for selection:
O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F,Ic1ccc2ncccc2c1,Brc1ccc2ncccc2c1
Optimal reactant:
| 1 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: CCCCP(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2
solvent: CC#N
base: [OH-].[Na+]
Reactants list for selection:
Brc1ccc2ncccc2c1,O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F,Ic1ccc2ncccc2c1
Optimal reactant:
| 0 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: COc1cccc(OC)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1
solvent: CC#N
base: [OH-].[Na+]
Reactants list for selection:
Ic1ccc2ncccc2c1,O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F,Brc1ccc2ncccc2c1
Optimal reactant:
| 2 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: CC(C)(C)P([C]1C=C[CH][C@@H]1[Fe]C1C=CC=C1P(C(C)(C)C)C(C)(C)C)C(C)(C)C
solvent: CC#N
base: [OH-].[Na+]
Reactants list for selection:
Brc1ccc2ncccc2c1,Ic1ccc2ncccc2c1,O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F
Optimal reactant:
| 1 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1
solvent: CC#N
base: [OH-].[Na+]
Reactants list for selection:
Brc1ccc2ncccc2c1,Ic1ccc2ncccc2c1,O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F
Optimal reactant:
| 2 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: C1=C[C@H]2[Fe][C@@H]1[C]2P(c1ccccc1)c1ccccc1
solvent: CC#N
base: [OH-].[Na+]
Reactants list for selection:
Brc1ccc2ncccc2c1,O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F,Ic1ccc2ncccc2c1
Optimal reactant:
| 1 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21
solvent: CC#N
base: [OH-].[Na+]
Reactants list for selection:
Brc1ccc2ncccc2c1,O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F,Ic1ccc2ncccc2c1
Optimal reactant:
| 2 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: CC(C)(C)P(C(C)(C)C)C(C)(C)C
solvent: CC#N
base: C(=O)(O)[O-].[Na+]
Reactants list for selection:
O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F,Brc1ccc2ncccc2c1,Ic1ccc2ncccc2c1
Optimal reactant:
| 1 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: c1ccc(P(c2ccccc2)c2ccccc2)cc1
solvent: CC#N
base: C(=O)(O)[O-].[Na+]
Reactants list for selection:
Ic1ccc2ncccc2c1,O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F,Brc1ccc2ncccc2c1
Optimal reactant:
| 1 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: CN(C)Cc1ccc(P(C(C)(C)C)C(C)(C)C)cc1
solvent: CC#N
base: C(=O)(O)[O-].[Na+]
Reactants list for selection:
Ic1ccc2ncccc2c1,Brc1ccc2ncccc2c1,O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F
Optimal reactant:
| 2 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: C1CCC(P(C2CCCCC2)C2CCCCC2)CC1
solvent: CC#N
base: C(=O)(O)[O-].[Na+]
Reactants list for selection:
O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F,Ic1ccc2ncccc2c1,Brc1ccc2ncccc2c1
Optimal reactant:
| 0 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: Cc1ccccc1P(c1ccccc1C)c1ccccc1C
solvent: CC#N
base: C(=O)(O)[O-].[Na+]
Reactants list for selection:
Ic1ccc2ncccc2c1,Brc1ccc2ncccc2c1,O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F
Optimal reactant:
| 0 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: CCCCP(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2
solvent: CC#N
base: C(=O)(O)[O-].[Na+]
Reactants list for selection:
Ic1ccc2ncccc2c1,O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F,Brc1ccc2ncccc2c1
Optimal reactant:
| 2 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: COc1cccc(OC)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1
solvent: CC#N
base: C(=O)(O)[O-].[Na+]
Reactants list for selection:
O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F,Ic1ccc2ncccc2c1,Brc1ccc2ncccc2c1
Optimal reactant:
| 1 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: CC(C)(C)P([C]1C=C[CH][C@@H]1[Fe]C1C=CC=C1P(C(C)(C)C)C(C)(C)C)C(C)(C)C
solvent: CC#N
base: C(=O)(O)[O-].[Na+]
Reactants list for selection:
O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F,Ic1ccc2ncccc2c1,Brc1ccc2ncccc2c1
Optimal reactant:
| 1 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1
solvent: CC#N
base: C(=O)(O)[O-].[Na+]
Reactants list for selection:
O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F,Brc1ccc2ncccc2c1,Ic1ccc2ncccc2c1
Optimal reactant:
| 2 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: C1=C[C@H]2[Fe][C@@H]1[C]2P(c1ccccc1)c1ccccc1
solvent: CC#N
base: C(=O)(O)[O-].[Na+]
Reactants list for selection:
Ic1ccc2ncccc2c1,O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F,Brc1ccc2ncccc2c1
Optimal reactant:
| 0 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21
solvent: CC#N
base: C(=O)(O)[O-].[Na+]
Reactants list for selection:
Ic1ccc2ncccc2c1,O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F,Brc1ccc2ncccc2c1
Optimal reactant:
| 0 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: CC(C)(C)P(C(C)(C)C)C(C)(C)C
solvent: CC#N
base: [F-].[Cs+]
Reactants list for selection:
Ic1ccc2ncccc2c1,Brc1ccc2ncccc2c1,O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F
Optimal reactant:
| 0 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: c1ccc(P(c2ccccc2)c2ccccc2)cc1
solvent: CC#N
base: [F-].[Cs+]
Reactants list for selection:
Brc1ccc2ncccc2c1,Ic1ccc2ncccc2c1,O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F
Optimal reactant:
| 2 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: CN(C)Cc1ccc(P(C(C)(C)C)C(C)(C)C)cc1
solvent: CC#N
base: [F-].[Cs+]
Reactants list for selection:
Brc1ccc2ncccc2c1,Ic1ccc2ncccc2c1,O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F
Optimal reactant:
| 2 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: C1CCC(P(C2CCCCC2)C2CCCCC2)CC1
solvent: CC#N
base: [F-].[Cs+]
Reactants list for selection:
Brc1ccc2ncccc2c1,O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F,Ic1ccc2ncccc2c1
Optimal reactant:
| 2 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: Cc1ccccc1P(c1ccccc1C)c1ccccc1C
solvent: CC#N
base: [F-].[Cs+]
Reactants list for selection:
Ic1ccc2ncccc2c1,Brc1ccc2ncccc2c1,O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F
Optimal reactant:
| 0 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: CCCCP(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2
solvent: CC#N
base: [F-].[Cs+]
Reactants list for selection:
O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F,Brc1ccc2ncccc2c1,Ic1ccc2ncccc2c1
Optimal reactant:
| 2 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: COc1cccc(OC)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1
solvent: CC#N
base: [F-].[Cs+]
Reactants list for selection:
Ic1ccc2ncccc2c1,O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F,Brc1ccc2ncccc2c1
Optimal reactant:
| 0 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: CC(C)(C)P([C]1C=C[CH][C@@H]1[Fe]C1C=CC=C1P(C(C)(C)C)C(C)(C)C)C(C)(C)C
solvent: CC#N
base: [F-].[Cs+]
Reactants list for selection:
O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F,Ic1ccc2ncccc2c1,Brc1ccc2ncccc2c1
Optimal reactant:
| 1 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1
solvent: CC#N
base: [F-].[Cs+]
Reactants list for selection:
O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F,Ic1ccc2ncccc2c1,Brc1ccc2ncccc2c1
Optimal reactant:
| 1 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: C1=C[C@H]2[Fe][C@@H]1[C]2P(c1ccccc1)c1ccccc1
solvent: CC#N
base: [F-].[Cs+]
Reactants list for selection:
Ic1ccc2ncccc2c1,Brc1ccc2ncccc2c1,O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F
Optimal reactant:
| 0 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21
solvent: CC#N
base: [F-].[Cs+]
Reactants list for selection:
Brc1ccc2ncccc2c1,O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F,Ic1ccc2ncccc2c1
Optimal reactant:
| 2 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: CC(C)(C)P(C(C)(C)C)C(C)(C)C
solvent: CC#N
base: [O-]P(=O)([O-])[O-].[K+].[K+].[K+]
Reactants list for selection:
Brc1ccc2ncccc2c1,Ic1ccc2ncccc2c1,O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F
Optimal reactant:
| 1 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: c1ccc(P(c2ccccc2)c2ccccc2)cc1
solvent: CC#N
base: [O-]P(=O)([O-])[O-].[K+].[K+].[K+]
Reactants list for selection:
O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F,Brc1ccc2ncccc2c1,Ic1ccc2ncccc2c1
Optimal reactant:
| 2 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: CN(C)Cc1ccc(P(C(C)(C)C)C(C)(C)C)cc1
solvent: CC#N
base: [O-]P(=O)([O-])[O-].[K+].[K+].[K+]
Reactants list for selection:
O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F,Brc1ccc2ncccc2c1,Ic1ccc2ncccc2c1
Optimal reactant:
| 0 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: C1CCC(P(C2CCCCC2)C2CCCCC2)CC1
solvent: CC#N
base: [O-]P(=O)([O-])[O-].[K+].[K+].[K+]
Reactants list for selection:
Ic1ccc2ncccc2c1,O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F,Brc1ccc2ncccc2c1
Optimal reactant:
| 0 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: Cc1ccccc1P(c1ccccc1C)c1ccccc1C
solvent: CC#N
base: [O-]P(=O)([O-])[O-].[K+].[K+].[K+]
Reactants list for selection:
O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F,Brc1ccc2ncccc2c1,Ic1ccc2ncccc2c1
Optimal reactant:
| 2 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: CCCCP(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2
solvent: CC#N
base: [O-]P(=O)([O-])[O-].[K+].[K+].[K+]
Reactants list for selection:
Ic1ccc2ncccc2c1,O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F,Brc1ccc2ncccc2c1
Optimal reactant:
| 0 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: COc1cccc(OC)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1
solvent: CC#N
base: [O-]P(=O)([O-])[O-].[K+].[K+].[K+]
Reactants list for selection:
O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F,Brc1ccc2ncccc2c1,Ic1ccc2ncccc2c1
Optimal reactant:
| 2 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: CC(C)(C)P([C]1C=C[CH][C@@H]1[Fe]C1C=CC=C1P(C(C)(C)C)C(C)(C)C)C(C)(C)C
solvent: CC#N
base: [O-]P(=O)([O-])[O-].[K+].[K+].[K+]
Reactants list for selection:
Ic1ccc2ncccc2c1,O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F,Brc1ccc2ncccc2c1
Optimal reactant:
| 0 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1
solvent: CC#N
base: [O-]P(=O)([O-])[O-].[K+].[K+].[K+]
Reactants list for selection:
Brc1ccc2ncccc2c1,O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F,Ic1ccc2ncccc2c1
Optimal reactant:
| 2 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: C1=C[C@H]2[Fe][C@@H]1[C]2P(c1ccccc1)c1ccccc1
solvent: CC#N
base: [O-]P(=O)([O-])[O-].[K+].[K+].[K+]
Reactants list for selection:
Ic1ccc2ncccc2c1,O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F,Brc1ccc2ncccc2c1
Optimal reactant:
| 0 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21
solvent: CC#N
base: [O-]P(=O)([O-])[O-].[K+].[K+].[K+]
Reactants list for selection:
O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F,Ic1ccc2ncccc2c1,Brc1ccc2ncccc2c1
Optimal reactant:
| 1 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: CC(C)(C)P(C(C)(C)C)C(C)(C)C
solvent: CC#N
base: [OH-].[K+]
Reactants list for selection:
Ic1ccc2ncccc2c1,O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F,Brc1ccc2ncccc2c1
Optimal reactant:
| 0 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: c1ccc(P(c2ccccc2)c2ccccc2)cc1
solvent: CC#N
base: [OH-].[K+]
Reactants list for selection:
Ic1ccc2ncccc2c1,O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F,Brc1ccc2ncccc2c1
Optimal reactant:
| 1 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: CN(C)Cc1ccc(P(C(C)(C)C)C(C)(C)C)cc1
solvent: CC#N
base: [OH-].[K+]
Reactants list for selection:
Ic1ccc2ncccc2c1,Brc1ccc2ncccc2c1,O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F
Optimal reactant:
| 2 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: C1CCC(P(C2CCCCC2)C2CCCCC2)CC1
solvent: CC#N
base: [OH-].[K+]
Reactants list for selection:
O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F,Brc1ccc2ncccc2c1,Ic1ccc2ncccc2c1
Optimal reactant:
| 2 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: Cc1ccccc1P(c1ccccc1C)c1ccccc1C
solvent: CC#N
base: [OH-].[K+]
Reactants list for selection:
Ic1ccc2ncccc2c1,Brc1ccc2ncccc2c1,O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F
Optimal reactant:
| 0 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: CCCCP(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2
solvent: CC#N
base: [OH-].[K+]
Reactants list for selection:
O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F,Brc1ccc2ncccc2c1,Ic1ccc2ncccc2c1
Optimal reactant:
| 1 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: COc1cccc(OC)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1
solvent: CC#N
base: [OH-].[K+]
Reactants list for selection:
Brc1ccc2ncccc2c1,O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F,Ic1ccc2ncccc2c1
Optimal reactant:
| 2 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: CC(C)(C)P([C]1C=C[CH][C@@H]1[Fe]C1C=CC=C1P(C(C)(C)C)C(C)(C)C)C(C)(C)C
solvent: CC#N
base: [OH-].[K+]
Reactants list for selection:
O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F,Brc1ccc2ncccc2c1,Ic1ccc2ncccc2c1
Optimal reactant:
| 2 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1
solvent: CC#N
base: [OH-].[K+]
Reactants list for selection:
Ic1ccc2ncccc2c1,O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F,Brc1ccc2ncccc2c1
Optimal reactant:
| 0 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: C1=C[C@H]2[Fe][C@@H]1[C]2P(c1ccccc1)c1ccccc1
solvent: CC#N
base: [OH-].[K+]
Reactants list for selection:
Brc1ccc2ncccc2c1,O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F,Ic1ccc2ncccc2c1
Optimal reactant:
| 2 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21
solvent: CC#N
base: [OH-].[K+]
Reactants list for selection:
Brc1ccc2ncccc2c1,Ic1ccc2ncccc2c1,O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F
Optimal reactant:
| 1 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: CC(C)(C)P(C(C)(C)C)C(C)(C)C
solvent: CC#N
base: [Li+].CC(C)(C)[O-]
Reactants list for selection:
O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F,Brc1ccc2ncccc2c1,Ic1ccc2ncccc2c1
Optimal reactant:
| 2 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: c1ccc(P(c2ccccc2)c2ccccc2)cc1
solvent: CC#N
base: [Li+].CC(C)(C)[O-]
Reactants list for selection:
Ic1ccc2ncccc2c1,Brc1ccc2ncccc2c1,O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F
Optimal reactant:
| 0 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: CN(C)Cc1ccc(P(C(C)(C)C)C(C)(C)C)cc1
solvent: CC#N
base: [Li+].CC(C)(C)[O-]
Reactants list for selection:
Ic1ccc2ncccc2c1,O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F,Brc1ccc2ncccc2c1
Optimal reactant:
| 2 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: C1CCC(P(C2CCCCC2)C2CCCCC2)CC1
solvent: CC#N
base: [Li+].CC(C)(C)[O-]
Reactants list for selection:
Ic1ccc2ncccc2c1,O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F,Brc1ccc2ncccc2c1
Optimal reactant:
| 1 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: Cc1ccccc1P(c1ccccc1C)c1ccccc1C
solvent: CC#N
base: [Li+].CC(C)(C)[O-]
Reactants list for selection:
Ic1ccc2ncccc2c1,O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F,Brc1ccc2ncccc2c1
Optimal reactant:
| 0 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: CCCCP(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2
solvent: CC#N
base: [Li+].CC(C)(C)[O-]
Reactants list for selection:
Ic1ccc2ncccc2c1,O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F,Brc1ccc2ncccc2c1
Optimal reactant:
| 2 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: COc1cccc(OC)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1
solvent: CC#N
base: [Li+].CC(C)(C)[O-]
Reactants list for selection:
Ic1ccc2ncccc2c1,Brc1ccc2ncccc2c1,O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F
Optimal reactant:
| 0 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: CC(C)(C)P([C]1C=C[CH][C@@H]1[Fe]C1C=CC=C1P(C(C)(C)C)C(C)(C)C)C(C)(C)C
solvent: CC#N
base: [Li+].CC(C)(C)[O-]
Reactants list for selection:
O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F,Ic1ccc2ncccc2c1,Brc1ccc2ncccc2c1
Optimal reactant:
| 1 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1
solvent: CC#N
base: [Li+].CC(C)(C)[O-]
Reactants list for selection:
Ic1ccc2ncccc2c1,Brc1ccc2ncccc2c1,O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F
Optimal reactant:
| 2 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: C1=C[C@H]2[Fe][C@@H]1[C]2P(c1ccccc1)c1ccccc1
solvent: CC#N
base: [Li+].CC(C)(C)[O-]
Reactants list for selection:
Ic1ccc2ncccc2c1,Brc1ccc2ncccc2c1,O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F
Optimal reactant:
| 0 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21
solvent: CC#N
base: [Li+].CC(C)(C)[O-]
Reactants list for selection:
O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F,Brc1ccc2ncccc2c1,Ic1ccc2ncccc2c1
Optimal reactant:
| 2 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: CC(C)(C)P(C(C)(C)C)C(C)(C)C
solvent: CC#N
base: CCN(CC)CC
Reactants list for selection:
Brc1ccc2ncccc2c1,Ic1ccc2ncccc2c1,O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F
Optimal reactant:
| 0 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: c1ccc(P(c2ccccc2)c2ccccc2)cc1
solvent: CC#N
base: CCN(CC)CC
Reactants list for selection:
O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F,Ic1ccc2ncccc2c1,Brc1ccc2ncccc2c1
Optimal reactant:
| 0 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: CN(C)Cc1ccc(P(C(C)(C)C)C(C)(C)C)cc1
solvent: CC#N
base: CCN(CC)CC
Reactants list for selection:
Brc1ccc2ncccc2c1,Ic1ccc2ncccc2c1,O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F
Optimal reactant:
| 0 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: C1CCC(P(C2CCCCC2)C2CCCCC2)CC1
solvent: CC#N
base: CCN(CC)CC
Reactants list for selection:
Ic1ccc2ncccc2c1,Brc1ccc2ncccc2c1,O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F
Optimal reactant:
| 2 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: Cc1ccccc1P(c1ccccc1C)c1ccccc1C
solvent: CC#N
base: CCN(CC)CC
Reactants list for selection:
O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F,Ic1ccc2ncccc2c1,Brc1ccc2ncccc2c1
Optimal reactant:
| 1 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: CCCCP(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2
solvent: CC#N
base: CCN(CC)CC
Reactants list for selection:
O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F,Brc1ccc2ncccc2c1,Ic1ccc2ncccc2c1
Optimal reactant:
| 1 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: COc1cccc(OC)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1
solvent: CC#N
base: CCN(CC)CC
Reactants list for selection:
O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F,Ic1ccc2ncccc2c1,Brc1ccc2ncccc2c1
Optimal reactant:
| 0 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: CC(C)(C)P([C]1C=C[CH][C@@H]1[Fe]C1C=CC=C1P(C(C)(C)C)C(C)(C)C)C(C)(C)C
solvent: CC#N
base: CCN(CC)CC
Reactants list for selection:
O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F,Ic1ccc2ncccc2c1,Brc1ccc2ncccc2c1
Optimal reactant:
| 1 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1
solvent: CC#N
base: CCN(CC)CC
Reactants list for selection:
O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F,Brc1ccc2ncccc2c1,Ic1ccc2ncccc2c1
Optimal reactant:
| 0 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: C1=C[C@H]2[Fe][C@@H]1[C]2P(c1ccccc1)c1ccccc1
solvent: CC#N
base: CCN(CC)CC
Reactants list for selection:
O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F,Brc1ccc2ncccc2c1,Ic1ccc2ncccc2c1
Optimal reactant:
| 2 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21
solvent: CC#N
base: CCN(CC)CC
Reactants list for selection:
Brc1ccc2ncccc2c1,O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F,Ic1ccc2ncccc2c1
Optimal reactant:
| 2 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: CC(C)(C)P(C(C)(C)C)C(C)(C)C
solvent: C1CCOC1
base: [OH-].[Na+]
Reactants list for selection:
Brc1ccc2ncccc2c1,Ic1ccc2ncccc2c1,O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F
Optimal reactant:
| 1 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: c1ccc(P(c2ccccc2)c2ccccc2)cc1
solvent: C1CCOC1
base: [OH-].[Na+]
Reactants list for selection:
O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F,Ic1ccc2ncccc2c1,Brc1ccc2ncccc2c1
Optimal reactant:
| 0 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: CN(C)Cc1ccc(P(C(C)(C)C)C(C)(C)C)cc1
solvent: C1CCOC1
base: [OH-].[Na+]
Reactants list for selection:
Ic1ccc2ncccc2c1,Brc1ccc2ncccc2c1,O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F
Optimal reactant:
| 0 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: C1CCC(P(C2CCCCC2)C2CCCCC2)CC1
solvent: C1CCOC1
base: [OH-].[Na+]
Reactants list for selection:
O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F,Ic1ccc2ncccc2c1,Brc1ccc2ncccc2c1
Optimal reactant:
| 0 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: Cc1ccccc1P(c1ccccc1C)c1ccccc1C
solvent: C1CCOC1
base: [OH-].[Na+]
Reactants list for selection:
Brc1ccc2ncccc2c1,O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F,Ic1ccc2ncccc2c1
Optimal reactant:
| 2 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: CCCCP(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2
solvent: C1CCOC1
base: [OH-].[Na+]
Reactants list for selection:
Ic1ccc2ncccc2c1,Brc1ccc2ncccc2c1,O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F
Optimal reactant:
| 1 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: COc1cccc(OC)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1
solvent: C1CCOC1
base: [OH-].[Na+]
Reactants list for selection:
Brc1ccc2ncccc2c1,Ic1ccc2ncccc2c1,O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F
Optimal reactant:
| 2 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: CC(C)(C)P([C]1C=C[CH][C@@H]1[Fe]C1C=CC=C1P(C(C)(C)C)C(C)(C)C)C(C)(C)C
solvent: C1CCOC1
base: [OH-].[Na+]
Reactants list for selection:
O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F,Brc1ccc2ncccc2c1,Ic1ccc2ncccc2c1
Optimal reactant:
| 2 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1
solvent: C1CCOC1
base: [OH-].[Na+]
Reactants list for selection:
Ic1ccc2ncccc2c1,Brc1ccc2ncccc2c1,O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F
Optimal reactant:
| 2 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: C1=C[C@H]2[Fe][C@@H]1[C]2P(c1ccccc1)c1ccccc1
solvent: C1CCOC1
base: [OH-].[Na+]
Reactants list for selection:
O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F,Brc1ccc2ncccc2c1,Ic1ccc2ncccc2c1
Optimal reactant:
| 2 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21
solvent: C1CCOC1
base: [OH-].[Na+]
Reactants list for selection:
O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F,Ic1ccc2ncccc2c1,Brc1ccc2ncccc2c1
Optimal reactant:
| 1 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: CC(C)(C)P(C(C)(C)C)C(C)(C)C
solvent: C1CCOC1
base: C(=O)(O)[O-].[Na+]
Reactants list for selection:
O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F,Ic1ccc2ncccc2c1,Brc1ccc2ncccc2c1
Optimal reactant:
| 2 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: c1ccc(P(c2ccccc2)c2ccccc2)cc1
solvent: C1CCOC1
base: C(=O)(O)[O-].[Na+]
Reactants list for selection:
Ic1ccc2ncccc2c1,Brc1ccc2ncccc2c1,O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F
Optimal reactant:
| 1 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: CN(C)Cc1ccc(P(C(C)(C)C)C(C)(C)C)cc1
solvent: C1CCOC1
base: C(=O)(O)[O-].[Na+]
Reactants list for selection:
O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F,Ic1ccc2ncccc2c1,Brc1ccc2ncccc2c1
Optimal reactant:
| 2 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: C1CCC(P(C2CCCCC2)C2CCCCC2)CC1
solvent: C1CCOC1
base: C(=O)(O)[O-].[Na+]
Reactants list for selection:
Ic1ccc2ncccc2c1,Brc1ccc2ncccc2c1,O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F
Optimal reactant:
| 2 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: Cc1ccccc1P(c1ccccc1C)c1ccccc1C
solvent: C1CCOC1
base: C(=O)(O)[O-].[Na+]
Reactants list for selection:
O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F,Ic1ccc2ncccc2c1,Brc1ccc2ncccc2c1
Optimal reactant:
| 1 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: CCCCP(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2
solvent: C1CCOC1
base: C(=O)(O)[O-].[Na+]
Reactants list for selection:
Brc1ccc2ncccc2c1,O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F,Ic1ccc2ncccc2c1
Optimal reactant:
| 0 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: COc1cccc(OC)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1
solvent: C1CCOC1
base: C(=O)(O)[O-].[Na+]
Reactants list for selection:
O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F,Ic1ccc2ncccc2c1,Brc1ccc2ncccc2c1
Optimal reactant:
| 0 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: CC(C)(C)P([C]1C=C[CH][C@@H]1[Fe]C1C=CC=C1P(C(C)(C)C)C(C)(C)C)C(C)(C)C
solvent: C1CCOC1
base: C(=O)(O)[O-].[Na+]
Reactants list for selection:
Ic1ccc2ncccc2c1,O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F,Brc1ccc2ncccc2c1
Optimal reactant:
| 2 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1
solvent: C1CCOC1
base: C(=O)(O)[O-].[Na+]
Reactants list for selection:
Ic1ccc2ncccc2c1,O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F,Brc1ccc2ncccc2c1
Optimal reactant:
| 1 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: C1=C[C@H]2[Fe][C@@H]1[C]2P(c1ccccc1)c1ccccc1
solvent: C1CCOC1
base: C(=O)(O)[O-].[Na+]
Reactants list for selection:
O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F,Ic1ccc2ncccc2c1,Brc1ccc2ncccc2c1
Optimal reactant:
| 1 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21
solvent: C1CCOC1
base: C(=O)(O)[O-].[Na+]
Reactants list for selection:
O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F,Brc1ccc2ncccc2c1,Ic1ccc2ncccc2c1
Optimal reactant:
| 2 |
|
Given the rest of reaction components:
reactant: Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O
ligand: CC(C)(C)P(C(C)(C)C)C(C)(C)C
solvent: C1CCOC1
base: [F-].[Cs+]
Reactants list for selection:
Brc1ccc2ncccc2c1,O=S(=O)(Oc1cnc2ccccc2c1)C(F)(F)F,Ic1ccc2ncccc2c1
Optimal reactant:
| 0 |
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