Reaction #173648

ord-b4bd26e8e14c458293ccad92cbd10e3e

Reaction equation

Cc1ccc(C(C)(C)C)cc1N
Cc1ccc(C(C)(C)C)cc1N
O=C([O-])[O-]
O=C([O-])[O-]
CCC(C)(C)O
CCC(C)(C)O
CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1
CC(C)c1cc(C(C)C)c(-c
CN(C)C(=O)c1cc(Cl)nc(N2CCC(n3ccnc3)CC2)c1
CN(C)C(=O)c1cc(Cl)nc
[K+]
[K+]
[K+]
[K+]
N#N
N#N
O=C(C=Cc1ccccc1)C=Cc1ccccc1
O=C(C=Cc1ccccc1)C=Cc
O=C(C=Cc1ccccc1)C=Cc1ccccc1
O=C(C=Cc1ccccc1)C=Cc
O=C(C=Cc1ccccc1)C=Cc1ccccc1
O=C(C=Cc1ccccc1)C=Cc
[Pd]
[Pd]
[Pd]
[Pd]
→
Cc1ccc(C(C)(C)C)cc1Nc1cc(C(=O)N(C)C)cc(N2CCC(n3ccnc3)CC2)n1
Cc1ccc(C(C)(C)C)cc1N

Reactants

Cc1ccc(C(C)(C)C)cc1N
Cc1ccc(C(C)(C)C)cc1N
O=C([O-])[O-]
O=C([O-])[O-]
CCC(C)(C)O
CCC(C)(C)O
CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1
CC(C)c1cc(C(C)C)c(-c2ccccc2P(C
CN(C)C(=O)c1cc(Cl)nc(N2CCC(n3ccnc3)CC2)c1
CN(C)C(=O)c1cc(Cl)nc(N2CCC(n3c
[K+]
[K+]
[K+]
[K+]
N#N
N#N
O=C(C=Cc1ccccc1)C=Cc1ccccc1
O=C(C=Cc1ccccc1)C=Cc1ccccc1
O=C(C=Cc1ccccc1)C=Cc1ccccc1
O=C(C=Cc1ccccc1)C=Cc1ccccc1
O=C(C=Cc1ccccc1)C=Cc1ccccc1
O=C(C=Cc1ccccc1)C=Cc1ccccc1
[Pd]
[Pd]
[Pd]
[Pd]

Reagents

None

Source

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