Reaction #180865

ord-aeed1116dd3c4954b71cd7cf6d29a3f5

Reaction equation

O=C([O-])O
O=C([O-])O
CN1C2CCC1CC(N)C2
CN1C2CCC1CC(N)C2
CN(C)C(N(C)C)=[N+]1N=[N+]([O-])c2ncccc21
CN(C)C(N(C)C)=[N+]1N
CN(C)C=O
CN(C)C=O
COc1cc(C(=O)O)ccc1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)C(=O)N2C
COc1cc(C(=O)O)ccc1Nc
CCN(C(C)C)C(C)C
CCN(C(C)C)C(C)C
[Na+]
[Na+]
O
O
F[P-](F)(F)(F)(F)F
F[P-](F)(F)(F)(F)F
→
COc1cc(C(=O)NC2CC3CCC(C2)N3C)ccc1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)C(=O)N2C
COc1cc(C(=O)NC2CC3CC

Reactants

O=C([O-])O
O=C([O-])O
CN1C2CCC1CC(N)C2
CN1C2CCC1CC(N)C2
CN(C)C(N(C)C)=[N+]1N=[N+]([O-])c2ncccc21
CN(C)C(N(C)C)=[N+]1N=[N+]([O-]
CN(C)C=O
CN(C)C=O
COc1cc(C(=O)O)ccc1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)C(=O)N2C
COc1cc(C(=O)O)ccc1Nc1ncc2c(n1)
CCN(C(C)C)C(C)C
CCN(C(C)C)C(C)C
[Na+]
[Na+]
O
O
F[P-](F)(F)(F)(F)F
F[P-](F)(F)(F)(F)F

Reagents

None

Source

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