反応 #213629

ord-9e2073461eaf4d31b05c4598ef5e0f24

反応方程式

Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn(CC(F)(F)F)c3n2)cc1
Nc1ccc(-c2nc(N3CC4CC
CC(C)(C)OC(=O)N1CC2COCC(C1)N2
CC(C)(C)OC(=O)N1CC2C
C1CC2CNCC1O2
C1CC2CNCC1O2
Cl
Cl
CC(C)(C)OC(=O)N1CC2COCC(C1)N2c1nc(-c2ccc([N+](=O)[O-])cc2)nc2c1cnn2CC(F)(F)F
CC(C)(C)OC(=O)N1CC2C
→
CC(C)(C)OC(=O)N1CC2COCC(C1)N2c1nc(-c2ccc(N)cc2)nc2c1cnn2CC(F)(F)F
CC(C)(C)OC(=O)N1CC2C

反応物

Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn(CC(F)(F)F)c3n2)cc1
Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3
CC(C)(C)OC(=O)N1CC2COCC(C1)N2
CC(C)(C)OC(=O)N1CC2COCC(C1)N2
C1CC2CNCC1O2
C1CC2CNCC1O2
Cl
Cl
CC(C)(C)OC(=O)N1CC2COCC(C1)N2c1nc(-c2ccc([N+](=O)[O-])cc2)nc2c1cnn2CC(F)(F)F
CC(C)(C)OC(=O)N1CC2COCC(C1)N2c

試薬

なし

出典

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