Table 4.
Optimal route analysis for compounds for which both AZ and AZ-Egret found synthetic routes
| Compound | Recommended number | ||
|---|---|---|---|
| Step | AZ | AZ-Egret | |
 Cn1c(=O)c2c(ncn2C)n(C)c1=O (1) |
1 | 1 | 4 |
 O=C(Cc1ccccc1)Nc1ccc(NC(=O)Nc2ccccc2)cc1 (2) |
1 | 2 | 1 |
 Cc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCN(C)C4)cc(C)c1O (3) |
1 | 2 | 1 |
 Oc1ccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)cc1 (4) |
2 | 5 | 1 |
 O=C(Nc1ccc(OC(F)(F)F)cc1)c1cncc(-c2cccnc2)c1 (5) |
2 | 8 | 1 |
 Cc1cnc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)cn1 (6) |
2 | 2 | 1 |
 O=C1CCc2cc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)ccc2N1 (7) |
2 | 4 | 1 |
 COc1ccc(CN(Cc2nc(=O)c3ccccc3[nH]2)C(=O)NC2CCCCC2)cc1 (8) |
2 | 3 | 1 |
 COc1ccccc1NC(=O)c1ccc(NC(=O)CSc2nc3cc(Cl)ccc3o2)cc1 (9) |
2 | 3 | 1 |
 O=C(O)CN1CCN(C(=O)CCCc2c[nH]c3ccccc23)CC1 (10) |
2 | 2 | 1 |
 Cc1cc(CNC(=O)c2cc(C(=O)NCc3ccc(F)c(C)c3)ncn2)ccc1F (11) |
2 | 4 | 1 |
 CCn1c(=O)c(C(=O)Nc2nnc(-c3nccs3)s2)c(O)c2ccccc21 (12) |
2 | 5 | 1 |
 CCCCNc1nc(SCCCC)nc2sccc12 (13) |
3 | - | 1 |
 COc1cc(Br)ccc1-n1nc(C(=O)NCC(=O)NCCC2=CCCCC2)c2ccccc2c1=O (14) |
3 | - | 1 |
 COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC (15) |
3 | - | 1 |
 COc1ccc(N(Cc2ccc(-c3cncnc3)s2)C(=O)CCCCCC(=O)NO)cc1 (16) |
3 | 2 | 1 |
 Cc1c(C(=O)NNC(=S)Nc2ccccc2)sc2nc3ccccc3n12 (17) |
3 | - | 1 |
 O=C(CCCCn1cc(C(=O)NCc2ccccc2)c(=O)c2ccccc21)NO (18) |
4 | 3 | 1 |
 CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCCOC)CCC2 (19) |
4 | 7 | 1 |
 CC1(C)CCn2c(=O)c(=O)n(CCCO)c3cccc1c32 (20) |
4 | 4 | 1 |
 O=C(CCCCCCNc1nn2c(=O)c3ccccc3nc2c2ccccc12)NO (21) |
4 | - | 1 |
 Cc1ccc2ncc(S(=O)(=O)c3ccccc3)c(N3CCC(C)CC3)c2c1 (22) |
5 | - | 1 |
 O=C(Nc1nnc(SCc2ccc(Cl)c(Cl)c2)s1)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O (23) |
5 | 5 | 2 |