Reaction #187453

ord-7806e012a151452db2a2804dd84a224d

Reaction equation

CN1CCOCC1
CN1CCOCC1
CN(C)C1(c2ccccc2)CCC(=CC(=O)O)CC1
CN(C)C1(c2ccccc2)CCC
CN(C)C=O
CN(C)C=O
C(=NC1CCCCC1)=NC1CCCCC1
C(=NC1CCCCC1)=NC1CCC
NC(=O)N(C1CCCCC1)C1CCCCC1
NC(=O)N(C1CCCCC1)C1C
c1ccc2c(C3CCNC3)c[nH]c2c1
c1ccc2c(C3CCNC3)c[nH
[Na+]
[Na+]
[OH-]
[OH-]
O
O
On1nnc2ccccc21
On1nnc2ccccc21
→
CN(C)C1(c2ccccc2)CCC(=CC(=O)N2CCC(c3c[nH]c4ccccc34)C2)CC1
CN(C)C1(c2ccccc2)CCC

Reactants

CN1CCOCC1
CN1CCOCC1
CN(C)C1(c2ccccc2)CCC(=CC(=O)O)CC1
CN(C)C1(c2ccccc2)CCC(=CC(=O)O)
CN(C)C=O
CN(C)C=O
C(=NC1CCCCC1)=NC1CCCCC1
C(=NC1CCCCC1)=NC1CCCCC1
NC(=O)N(C1CCCCC1)C1CCCCC1
NC(=O)N(C1CCCCC1)C1CCCCC1
c1ccc2c(C3CCNC3)c[nH]c2c1
c1ccc2c(C3CCNC3)c[nH]c2c1
[Na+]
[Na+]
[OH-]
[OH-]
O
O
On1nnc2ccccc21
On1nnc2ccccc21

Reagents

None

Source

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