Reaction #202668

ord-a337f2da17764900b0d63477fdadd0b5

Reaction equation

O=C(O)c1cccc(-c2nnn(COCc3ccccc3)n2)c1
O=C(O)c1cccc(-c2nnn(
CC#N
CC#N
Cl
Cl
O=C(O)C(F)(F)F
O=C(O)C(F)(F)F
CC(N)CC(=O)N1CCC(O)(c2ccc(Cl)cc2)C(C)(C)C1
CC(N)CC(=O)N1CCC(O)(
O
O
→
CC(CC(=O)N1CCC(O)(c2ccc(Cl)cc2)C(C)(C)C1)NC(=O)c1cccc(-c2nnn(COCc3ccccc3)n2)c1
CC(CC(=O)N1CCC(O)(c2

Reactants

O=C(O)c1cccc(-c2nnn(COCc3ccccc3)n2)c1
O=C(O)c1cccc(-c2nnn(COCc3ccccc
CC#N
CC#N
Cl
Cl
O=C(O)C(F)(F)F
O=C(O)C(F)(F)F
CC(N)CC(=O)N1CCC(O)(c2ccc(Cl)cc2)C(C)(C)C1
CC(N)CC(=O)N1CCC(O)(c2ccc(Cl)c
O
O

Reagents

None

Source

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