Reaction #749929

ord-c683ebea6f4e457abb1db22fe0d7479e

Reaction equation

CC1(C)OB(c2ccc(Oc3ncccn3)cc2)OC1(C)C
CC1(C)OB(c2ccc(Oc3nc
COCCOC
COCCOC
[Na+]
[Na+]
[Na+]
[Na+]
O=C([O-])[O-]
O=C([O-])[O-]
Nc1ncnc2c1c(I)nn2C1CCC2(CC1)OCCO2
Nc1ncnc2c1c(I)nn2C1C
O
O
c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
c1ccc([PH](c2ccccc2)
→
Nc1ncnc2c1c(-c1ccc(Oc3ncccn3)cc1)nn2C1CCC2(CC1)OCCO2
Nc1ncnc2c1c(-c1ccc(O

Reactants

CC1(C)OB(c2ccc(Oc3ncccn3)cc2)OC1(C)C
CC1(C)OB(c2ccc(Oc3ncccn3)cc2)O
COCCOC
COCCOC
[Na+]
[Na+]
[Na+]
[Na+]
O=C([O-])[O-]
O=C([O-])[O-]
Nc1ncnc2c1c(I)nn2C1CCC2(CC1)OCCO2
Nc1ncnc2c1c(I)nn2C1CCC2(CC1)OC
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 (3/10)