Reaction #189714

ord-43b8b83beefe47d2a3e5e3935df74dde

Reaction equation

Cc1oc2ccccc2c1B1OC(C)(C)C(C)(C)O1
Cc1oc2ccccc2c1B1OC(C
CC(=O)[O-]
CC(=O)[O-]
CC#N
CC#N
CCOC(C)=O
CCOC(C)=O
CC(C)(C(N)=O)N1CCN(Cc2cc3nc(Cl)nc(N4CCOCC4)c3s2)CC1
CC(C)(C(N)=O)N1CCN(C
[K+]
[K+]
[Na+]
[Na+]
[Na+]
[Na+]
O=C([O-])[O-]
O=C([O-])[O-]
O
O
→
Cc1oc2ccccc2c1-c1nc(N2CCOCC2)c2sc(CN3CCN(C(C)(C)C(N)=O)CC3)cc2n1
Cc1oc2ccccc2c1-c1nc(

Reactants

Cc1oc2ccccc2c1B1OC(C)(C)C(C)(C)O1
Cc1oc2ccccc2c1B1OC(C)(C)C(C)(C
CC(=O)[O-]
CC(=O)[O-]
CC#N
CC#N
CCOC(C)=O
CCOC(C)=O
CC(C)(C(N)=O)N1CCN(Cc2cc3nc(Cl)nc(N4CCOCC4)c3s2)CC1
CC(C)(C(N)=O)N1CCN(Cc2cc3nc(Cl
[K+]
[K+]
[Na+]
[Na+]
[Na+]
[Na+]
O=C([O-])[O-]
O=C([O-])[O-]
O
O

Reagents

None

Source

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