Reaction #194120

ord-77ecf6cf8453412f87e75139bf17f4cc

Reaction equation

O=[N+]([O-])c1ccc(-n2nnnc2-c2ccccc2Br)cc1
O=[N+]([O-])c1ccc(-n
O=C([O-])[O-]
O=C([O-])[O-]
CCc1cc(OCc2ccc(B(O)O)cc2)c2ccccc2n1
CCc1cc(OCc2ccc(B(O)O
Cc1ccccc1
Cc1ccccc1
CO
CO
Cl
Cl
[K+]
[K+]
[K+]
[K+]
O
O
c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
c1ccc([PH](c2ccccc2)
→
CCc1cc(OCc2ccc(-c3ccccc3-c3nnnn3-c3ccc([N+](=O)[O-])cc3)cc2)c2ccccc2n1
CCc1cc(OCc2ccc(-c3cc

Reactants

O=[N+]([O-])c1ccc(-n2nnnc2-c2ccccc2Br)cc1
O=[N+]([O-])c1ccc(-n2nnnc2-c2c
O=C([O-])[O-]
O=C([O-])[O-]
CCc1cc(OCc2ccc(B(O)O)cc2)c2ccccc2n1
CCc1cc(OCc2ccc(B(O)O)cc2)c2ccc
Cc1ccccc1
Cc1ccccc1
CO
CO
Cl
Cl
[K+]
[K+]
[K+]
[K+]
O
O
c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
c1ccc([PH](c2ccccc2)(c2ccccc2)

Reagents

None

Source

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