Reaction #197815

ord-dac5d0e76af84c858f03a703e5c0f4d7

Reaction equation

Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(c2ccccc2)CCNCC1
Cc1nc2ccccc2n1C1CC2C
Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(c2ccccc2)CCN(C(=O)c2ccccc2S(=O)(=O)NC(=O)OC(C)(C)C)CC1
Cc1nc2ccccc2n1C1CC2C
CC(C)NS(=O)(=O)c1ccc(C(=O)O)cc1Cl
CC(C)NS(=O)(=O)c1ccc
CC(C)NS(=O)(=O)c1ccc(Cl)cc1C(=O)O
CC(C)NS(=O)(=O)c1ccc
Cl
Cl
Cl
Cl
→
Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(c2ccccc2)CCN(C(=O)c2cc(Cl)ccc2S(=O)(=O)NC(C)C)CC1
Cc1nc2ccccc2n1C1CC2C

Reactants

Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(c2ccccc2)CCNCC1
Cc1nc2ccccc2n1C1CC2CCC(C1)N2CC
Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(c2ccccc2)CCN(C(=O)c2ccccc2S(=O)(=O)NC(=O)OC(C)(C)C)CC1
Cc1nc2ccccc2n1C1CC2CCC(C1)N2CC
CC(C)NS(=O)(=O)c1ccc(C(=O)O)cc1Cl
CC(C)NS(=O)(=O)c1ccc(C(=O)O)cc
CC(C)NS(=O)(=O)c1ccc(Cl)cc1C(=O)O
CC(C)NS(=O)(=O)c1ccc(Cl)cc1C(=
Cl
Cl
Cl
Cl

Reagents

None

Source

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