Reaction #173901

ord-1d36a5119c0243f2bf139935e817605b

Reaction equation

O=C([O-])[O-]
O=C([O-])[O-]
CCc1nc2ccccc2[nH]1
CCc1nc2ccccc2[nH]1
Cn1c(CCN2CCC(F)(F)CC2)nc2c(N3CCOCC3)nc(Cl)nc21
Cn1c(CCN2CCC(F)(F)CC
[Cs+]
[Cs+]
[Cs+]
[Cs+]
C1COCCO1
C1COCCO1
O=C(C=Cc1ccccc1)C=Cc1ccccc1
O=C(C=Cc1ccccc1)C=Cc
O=C(C=Cc1ccccc1)C=Cc1ccccc1
O=C(C=Cc1ccccc1)C=Cc
O=C(C=Cc1ccccc1)C=Cc1ccccc1
O=C(C=Cc1ccccc1)C=Cc
[Pd]
[Pd]
[Pd]
[Pd]
→
CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CCN3CCC(F)(F)CC3)n(C)c2n1
CCc1nc2ccccc2n1-c1nc

Reactants

O=C([O-])[O-]
O=C([O-])[O-]
CCc1nc2ccccc2[nH]1
CCc1nc2ccccc2[nH]1
Cn1c(CCN2CCC(F)(F)CC2)nc2c(N3CCOCC3)nc(Cl)nc21
Cn1c(CCN2CCC(F)(F)CC2)nc2c(N3C
[Cs+]
[Cs+]
[Cs+]
[Cs+]
C1COCCO1
C1COCCO1
O=C(C=Cc1ccccc1)C=Cc1ccccc1
O=C(C=Cc1ccccc1)C=Cc1ccccc1
O=C(C=Cc1ccccc1)C=Cc1ccccc1
O=C(C=Cc1ccccc1)C=Cc1ccccc1
O=C(C=Cc1ccccc1)C=Cc1ccccc1
O=C(C=Cc1ccccc1)C=Cc1ccccc1
[Pd]
[Pd]
[Pd]
[Pd]

Reagents

None

Source

DOI: 10.1039/C8SC04228DTraining data from https://doi.org/10.1039/C8SC04228D (2/10)