Reaction #249054

ord-a86cce1a6c9044bd946c4cce91891e0a

Reaction equation

CC(C)(C)n1ncc(SCc2ccc(CCCCO)cc2)c(Cl)c1=O
CC(C)(C)n1ncc(SCc2cc
CCOC(C)=O
CCOC(C)=O
Cc1ccccc1S(=O)(=O)Cl
Cc1ccccc1S(=O)(=O)Cl
c1ccncc1
c1ccncc1
→
Cc1ccccc1S(=O)(=O)OCCCCc1ccc(CSc2cnn(C(C)(C)C)c(=O)c2Cl)cc1
Cc1ccccc1S(=O)(=O)OC

Reactants

CC(C)(C)n1ncc(SCc2ccc(CCCCO)cc2)c(Cl)c1=O
CC(C)(C)n1ncc(SCc2ccc(CCCCO)cc
CCOC(C)=O
CCOC(C)=O
Cc1ccccc1S(=O)(=O)Cl
Cc1ccccc1S(=O)(=O)Cl
c1ccncc1
c1ccncc1

Reagents

None

Source

DOI: 10.1039/C8SC04228DTraining data from https://doi.org/10.1039/C8SC04228D (9/10)