Reaction #180998

ord-08710b5959a348d2b5071e0d8a2cef9c

Reaction equation

C1=CC2CCCCC2n2c3c(c4cnccc42)CCC=C13
C1=CC2CCCCC2n2c3c(c4
CCN(CC)CC
CCN(CC)CC
ClC(Cl)Cl
ClC(Cl)Cl
O=C(Cl)C1CC=CCC1
O=C(Cl)C1CC=CCC1
O
O
→
O=C(C1CC=CCC1)C1CCC2C(C=CC3=CCCc4c3n2c2ccncc42)C1
O=C(C1CC=CCC1)C1CCC2

Reactants

C1=CC2CCCCC2n2c3c(c4cnccc42)CCC=C13
C1=CC2CCCCC2n2c3c(c4cnccc42)CC
CCN(CC)CC
CCN(CC)CC
ClC(Cl)Cl
ClC(Cl)Cl
O=C(Cl)C1CC=CCC1
O=C(Cl)C1CC=CCC1
O
O

Reagents

None

Source

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