Reaction #258890

ord-50fe6c73253243c99ae047bece8823a3

Reaction equation

CC(C)n1cnc2c(NCc3ccccc3)nc(F)nc21
CC(C)n1cnc2c(NCc3ccc
C1CCC2=NCCCN2CC1
C1CCC2=NCCCN2CC1
CN1CCCC1=O
CN1CCCC1=O
ClCCl
ClCCl
CCC(N)C(=O)O
CCC(N)C(=O)O
O=C(O)CC(O)(CC(=O)O)C(=O)O
O=C(O)CC(O)(CC(=O)O)
→
CCC(Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1)C(=O)O
CCC(Nc1nc(NCc2ccccc2

Reactants

CC(C)n1cnc2c(NCc3ccccc3)nc(F)nc21
CC(C)n1cnc2c(NCc3ccccc3)nc(F)n
C1CCC2=NCCCN2CC1
C1CCC2=NCCCN2CC1
CN1CCCC1=O
CN1CCCC1=O
ClCCl
ClCCl
CCC(N)C(=O)O
CCC(N)C(=O)O
O=C(O)CC(O)(CC(=O)O)C(=O)O
O=C(O)CC(O)(CC(=O)O)C(=O)O

Reagents

None

Source

DOI: 10.1039/C8SC04228DTraining data from https://doi.org/10.1039/C8SC04228D (9/10)