Unnamed: 0 int64 0 1.21M ⌀ | mon1 stringlengths 15 88 ⌀ | mon2 stringclasses 629
values | polym stringlengths 19 173 ⌀ | polymer_class stringclasses 5
values | Ps_rxnL int64 2 112 ⌀ | Ps_rxn_smarts stringclasses 12
values | reactset stringlengths 24 170 ⌀ | mon1_rxn stringlengths 127 284 ⌀ | mon2_rxn stringclasses 629
values | inp_0 stringlengths 239 976 ⌀ | inp_1 stringlengths 111 626 ⌀ | __index_level_0__ int64 0 1.21M ⌀ |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
0 | Cc1cc(C(=O)O)c(O)c(C(=O)O)c1 | null | *Oc1c(C(*)=O)cc(C)cc1C(=O)O | polyester | 6 | ([O&X2&H1&!$(OC=*):1].[C&X3:2](=O)[O&X2&H1])>>(*-[O&X2:1].[C&X3:2](=O)-*) | ('', 'Cc1cc(C(=O)O)c(O)c(C(=O)O)c1') | [[6*]C(=O)O] + [[16*]c1cc(C)cc(C(=O)O)c1O] -> [6*]-[*:1].[16*]-[*:2]>>[$([C&D3&!R](=O)-&!@[#0,#6,#7,#8]):1]-&!@[$([c&$(c(:c):c)]):2] -> [Cc1cc(C(=O)O)c(O)c(C(=O)O)c1] | null | {[[6*]C(=O)O] + [[16*]c1cc(C)cc(C(=O)O)c1O] -> [6*]-[*:1].[16*]-[*:2]>>[$([C&D3&!R](=O)-&!@[#0,#6,#7,#8]):1]-&!@[$([c&$(c(:c):c)]):2] -> [Cc1cc(C(=O)O)c(O)c(C(=O)O)c1]} => ([O&X2&H1&!$(OC=*):1].[C&X3:2](=O)[O&X2&H1])>>(*-[O&X2:1].[C&X3:2](=O)-*) => *Oc1c(C(*)=O)cc(C)cc1C(=O)O | {Cc1cc(C(=O)O)c(O)c(C(=O)O)c1} => ([O&X2&H1&!$(OC=*):1].[C&X3:2](=O)[O&X2&H1])>>(*-[O&X2:1].[C&X3:2](=O)-*) => *Oc1c(C(*)=O)cc(C)cc1C(=O)O | 0 |
1 | O=C(O)Cc1cccc(C(=O)O)c1O | null | *Oc1c(CC(*)=O)cccc1C(=O)O | polyester | 6 | ([O&X2&H1&!$(OC=*):1].[C&X3:2](=O)[O&X2&H1])>>(*-[O&X2:1].[C&X3:2](=O)-*) | ('', 'O=C(O)Cc1cccc(C(=O)O)c1O') | [[8*]CC(=O)O] + [[16*]c1cccc(C(=O)O)c1O] -> [8*]-[*:1].[16*]-[*:2]>>[$([C&!R&!D1&!$(C!-*)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [O=C(O)Cc1cccc(C(=O)O)c1O] | null | {[[8*]CC(=O)O] + [[16*]c1cccc(C(=O)O)c1O] -> [8*]-[*:1].[16*]-[*:2]>>[$([C&!R&!D1&!$(C!-*)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [O=C(O)Cc1cccc(C(=O)O)c1O]} => ([O&X2&H1&!$(OC=*):1].[C&X3:2](=O)[O&X2&H1])>>(*-[O&X2:1].[C&X3:2](=O)-*) => *Oc1c(CC(*)=O)cccc1C(=O)O | {O=C(O)Cc1cccc(C(=O)O)c1O} => ([O&X2&H1&!$(OC=*):1].[C&X3:2](=O)[O&X2&H1])>>(*-[O&X2:1].[C&X3:2](=O)-*) => *Oc1c(CC(*)=O)cccc1C(=O)O | 1 |
2 | O=C(O)Cc1cccc(C(=O)O)c1O | null | *Oc1c(CC(=O)O)cccc1C(*)=O | polyester | 6 | ([O&X2&H1&!$(OC=*):1].[C&X3:2](=O)[O&X2&H1])>>(*-[O&X2:1].[C&X3:2](=O)-*) | ('', 'O=C(O)Cc1cccc(C(=O)O)c1O') | [[8*]CC(=O)O] + [[16*]c1cccc(C(=O)O)c1O] -> [8*]-[*:1].[16*]-[*:2]>>[$([C&!R&!D1&!$(C!-*)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [O=C(O)Cc1cccc(C(=O)O)c1O] | null | {[[8*]CC(=O)O] + [[16*]c1cccc(C(=O)O)c1O] -> [8*]-[*:1].[16*]-[*:2]>>[$([C&!R&!D1&!$(C!-*)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [O=C(O)Cc1cccc(C(=O)O)c1O]} => ([O&X2&H1&!$(OC=*):1].[C&X3:2](=O)[O&X2&H1])>>(*-[O&X2:1].[C&X3:2](=O)-*) => *Oc1c(CC(=O)O)cccc1C(*)=O | {O=C(O)Cc1cccc(C(=O)O)c1O} => ([O&X2&H1&!$(OC=*):1].[C&X3:2](=O)[O&X2&H1])>>(*-[O&X2:1].[C&X3:2](=O)-*) => *Oc1c(CC(=O)O)cccc1C(*)=O | 2 |
3 | O=C(O)CCc1cccc(CC(=O)O)c1O | null | *Oc1c(CCC(*)=O)cccc1CC(=O)O | polyester | 6 | ([O&X2&H1&!$(OC=*):1].[C&X3:2](=O)[O&X2&H1])>>(*-[O&X2:1].[C&X3:2](=O)-*) | ('', 'O=C(O)CCc1cccc(CC(=O)O)c1O') | [[8*]CCC(=O)O] + [[16*]c1cccc(CC(=O)O)c1O] -> [8*]-[*:1].[16*]-[*:2]>>[$([C&!R&!D1&!$(C!-*)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [O=C(O)CCc1cccc(CC(=O)O)c1O] | null | {[[8*]CCC(=O)O] + [[16*]c1cccc(CC(=O)O)c1O] -> [8*]-[*:1].[16*]-[*:2]>>[$([C&!R&!D1&!$(C!-*)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [O=C(O)CCc1cccc(CC(=O)O)c1O]} => ([O&X2&H1&!$(OC=*):1].[C&X3:2](=O)[O&X2&H1])>>(*-[O&X2:1].[C&X3:2](=O)-*) => *Oc1c(CCC(*)=O)cccc1CC(=O)O | {O=C(O)CCc1cccc(CC(=O)O)c1O} => ([O&X2&H1&!$(OC=*):1].[C&X3:2](=O)[O&X2&H1])>>(*-[O&X2:1].[C&X3:2](=O)-*) => *Oc1c(CCC(*)=O)cccc1CC(=O)O | 3 |
4 | O=C(O)CCc1cccc(CC(=O)O)c1O | null | *Oc1c(CCC(=O)O)cccc1CC(*)=O | polyester | 6 | ([O&X2&H1&!$(OC=*):1].[C&X3:2](=O)[O&X2&H1])>>(*-[O&X2:1].[C&X3:2](=O)-*) | ('', 'O=C(O)CCc1cccc(CC(=O)O)c1O') | [[8*]CCC(=O)O] + [[16*]c1cccc(CC(=O)O)c1O] -> [8*]-[*:1].[16*]-[*:2]>>[$([C&!R&!D1&!$(C!-*)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [O=C(O)CCc1cccc(CC(=O)O)c1O] | null | {[[8*]CCC(=O)O] + [[16*]c1cccc(CC(=O)O)c1O] -> [8*]-[*:1].[16*]-[*:2]>>[$([C&!R&!D1&!$(C!-*)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [O=C(O)CCc1cccc(CC(=O)O)c1O]} => ([O&X2&H1&!$(OC=*):1].[C&X3:2](=O)[O&X2&H1])>>(*-[O&X2:1].[C&X3:2](=O)-*) => *Oc1c(CCC(=O)O)cccc1CC(*)=O | {O=C(O)CCc1cccc(CC(=O)O)c1O} => ([O&X2&H1&!$(OC=*):1].[C&X3:2](=O)[O&X2&H1])>>(*-[O&X2:1].[C&X3:2](=O)-*) => *Oc1c(CCC(=O)O)cccc1CC(*)=O | 4 |
5 | O=C(O)Cc1ccc(C(=O)Cl)c(O)c1 | null | *Oc1cc(CC(*)=O)ccc1C(=O)Cl | polyester | 6 | ([O&X2&H1&!$(OC=*):1].[C&X3:2](=O)[O&X2&H1])>>(*-[O&X2:1].[C&X3:2](=O)-*) | ('', 'O=C(O)Cc1ccc(C(=O)Cl)c(O)c1') | [[8*]CC(=O)O] + [[16*]c1ccc(C(=O)Cl)c(O)c1] -> [8*]-[*:1].[16*]-[*:2]>>[$([C&!R&!D1&!$(C!-*)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [O=C(O)Cc1ccc(C(=O)Cl)c(O)c1] | null | {[[8*]CC(=O)O] + [[16*]c1ccc(C(=O)Cl)c(O)c1] -> [8*]-[*:1].[16*]-[*:2]>>[$([C&!R&!D1&!$(C!-*)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [O=C(O)Cc1ccc(C(=O)Cl)c(O)c1]} => ([O&X2&H1&!$(OC=*):1].[C&X3:2](=O)[O&X2&H1])>>(*-[O&X2:1].[C&X3:2](=O)-*) => *Oc1cc(CC(*)=O)ccc1C(=O)Cl | {O=C(O)Cc1ccc(C(=O)Cl)c(O)c1} => ([O&X2&H1&!$(OC=*):1].[C&X3:2](=O)[O&X2&H1])>>(*-[O&X2:1].[C&X3:2](=O)-*) => *Oc1cc(CC(*)=O)ccc1C(=O)Cl | 5 |
6 | O=C(O)c1ccc(C(=O)Cl)c(O)c1 | null | *Oc1cc(C(*)=O)ccc1C(=O)Cl | polyester | 6 | ([O&X2&H1&!$(OC=*):1].[C&X3:2](=O)[O&X2&H1])>>(*-[O&X2:1].[C&X3:2](=O)-*) | ('', 'O=C(O)c1ccc(C(=O)Cl)c(O)c1') | [[6*]C(=O)Cl] + [[16*]c1ccc(C(=O)O)cc1O] -> [6*]-[*:1].[16*]-[*:2]>>[$([C&D3&!R](=O)-&!@[#0,#6,#7,#8]):1]-&!@[$([c&$(c(:c):c)]):2] -> [O=C(O)c1ccc(C(=O)Cl)c(O)c1] | null | {[[6*]C(=O)Cl] + [[16*]c1ccc(C(=O)O)cc1O] -> [6*]-[*:1].[16*]-[*:2]>>[$([C&D3&!R](=O)-&!@[#0,#6,#7,#8]):1]-&!@[$([c&$(c(:c):c)]):2] -> [O=C(O)c1ccc(C(=O)Cl)c(O)c1]} => ([O&X2&H1&!$(OC=*):1].[C&X3:2](=O)[O&X2&H1])>>(*-[O&X2:1].[C&X3:2](=O)-*) => *Oc1cc(C(*)=O)ccc1C(=O)Cl | {O=C(O)c1ccc(C(=O)Cl)c(O)c1} => ([O&X2&H1&!$(OC=*):1].[C&X3:2](=O)[O&X2&H1])>>(*-[O&X2:1].[C&X3:2](=O)-*) => *Oc1cc(C(*)=O)ccc1C(=O)Cl | 6 |
7 | O=C(O)CCc1ccc(CC(=O)O)cc1O | null | *Oc1cc(CC(=O)O)ccc1CCC(*)=O | polyester | 6 | ([O&X2&H1&!$(OC=*):1].[C&X3:2](=O)[O&X2&H1])>>(*-[O&X2:1].[C&X3:2](=O)-*) | ('', 'O=C(O)CCc1ccc(CC(=O)O)cc1O') | [[8*]CC(=O)O] + [[16*]c1ccc(CCC(=O)O)c(O)c1] -> [8*]-[*:1].[16*]-[*:2]>>[$([C&!R&!D1&!$(C!-*)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [O=C(O)CCc1ccc(CC(=O)O)cc1O] | null | {[[8*]CC(=O)O] + [[16*]c1ccc(CCC(=O)O)c(O)c1] -> [8*]-[*:1].[16*]-[*:2]>>[$([C&!R&!D1&!$(C!-*)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [O=C(O)CCc1ccc(CC(=O)O)cc1O]} => ([O&X2&H1&!$(OC=*):1].[C&X3:2](=O)[O&X2&H1])>>(*-[O&X2:1].[C&X3:2](=O)-*) => *Oc1cc(CC(=O)O)ccc1CCC(*)=O | {O=C(O)CCc1ccc(CC(=O)O)cc1O} => ([O&X2&H1&!$(OC=*):1].[C&X3:2](=O)[O&X2&H1])>>(*-[O&X2:1].[C&X3:2](=O)-*) => *Oc1cc(CC(=O)O)ccc1CCC(*)=O | 7 |
8 | O=C(O)CCc1ccc(CC(=O)O)cc1O | null | *Oc1cc(CC(*)=O)ccc1CCC(=O)O | polyester | 6 | ([O&X2&H1&!$(OC=*):1].[C&X3:2](=O)[O&X2&H1])>>(*-[O&X2:1].[C&X3:2](=O)-*) | ('', 'O=C(O)CCc1ccc(CC(=O)O)cc1O') | [[8*]CC(=O)O] + [[16*]c1ccc(CCC(=O)O)c(O)c1] -> [8*]-[*:1].[16*]-[*:2]>>[$([C&!R&!D1&!$(C!-*)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [O=C(O)CCc1ccc(CC(=O)O)cc1O] | null | {[[8*]CC(=O)O] + [[16*]c1ccc(CCC(=O)O)c(O)c1] -> [8*]-[*:1].[16*]-[*:2]>>[$([C&!R&!D1&!$(C!-*)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [O=C(O)CCc1ccc(CC(=O)O)cc1O]} => ([O&X2&H1&!$(OC=*):1].[C&X3:2](=O)[O&X2&H1])>>(*-[O&X2:1].[C&X3:2](=O)-*) => *Oc1cc(CC(*)=O)ccc1CCC(=O)O | {O=C(O)CCc1ccc(CC(=O)O)cc1O} => ([O&X2&H1&!$(OC=*):1].[C&X3:2](=O)[O&X2&H1])>>(*-[O&X2:1].[C&X3:2](=O)-*) => *Oc1cc(CC(*)=O)ccc1CCC(=O)O | 8 |
9 | O=C(O)Cc1ccc(O)c(C(=O)O)c1 | null | *Oc1ccc(CC(*)=O)cc1C(=O)O | polyester | 6 | ([O&X2&H1&!$(OC=*):1].[C&X3:2](=O)[O&X2&H1])>>(*-[O&X2:1].[C&X3:2](=O)-*) | ('', 'O=C(O)Cc1ccc(O)c(C(=O)O)c1') | [[8*]CC(=O)O] + [[16*]c1ccc(O)c(C(=O)O)c1] -> [8*]-[*:1].[16*]-[*:2]>>[$([C&!R&!D1&!$(C!-*)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [O=C(O)Cc1ccc(O)c(C(=O)O)c1] | null | {[[8*]CC(=O)O] + [[16*]c1ccc(O)c(C(=O)O)c1] -> [8*]-[*:1].[16*]-[*:2]>>[$([C&!R&!D1&!$(C!-*)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [O=C(O)Cc1ccc(O)c(C(=O)O)c1]} => ([O&X2&H1&!$(OC=*):1].[C&X3:2](=O)[O&X2&H1])>>(*-[O&X2:1].[C&X3:2](=O)-*) => *Oc1ccc(CC(*)=O)cc1C(=O)O | {O=C(O)Cc1ccc(O)c(C(=O)O)c1} => ([O&X2&H1&!$(OC=*):1].[C&X3:2](=O)[O&X2&H1])>>(*-[O&X2:1].[C&X3:2](=O)-*) => *Oc1ccc(CC(*)=O)cc1C(=O)O | 9 |
10 | O=C(O)Cc1ccc(O)c(C(=O)O)c1 | null | *Oc1ccc(CC(=O)O)cc1C(*)=O | polyester | 6 | ([O&X2&H1&!$(OC=*):1].[C&X3:2](=O)[O&X2&H1])>>(*-[O&X2:1].[C&X3:2](=O)-*) | ('', 'O=C(O)Cc1ccc(O)c(C(=O)O)c1') | [[8*]CC(=O)O] + [[16*]c1ccc(O)c(C(=O)O)c1] -> [8*]-[*:1].[16*]-[*:2]>>[$([C&!R&!D1&!$(C!-*)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [O=C(O)Cc1ccc(O)c(C(=O)O)c1] | null | {[[8*]CC(=O)O] + [[16*]c1ccc(O)c(C(=O)O)c1] -> [8*]-[*:1].[16*]-[*:2]>>[$([C&!R&!D1&!$(C!-*)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [O=C(O)Cc1ccc(O)c(C(=O)O)c1]} => ([O&X2&H1&!$(OC=*):1].[C&X3:2](=O)[O&X2&H1])>>(*-[O&X2:1].[C&X3:2](=O)-*) => *Oc1ccc(CC(=O)O)cc1C(*)=O | {O=C(O)Cc1ccc(O)c(C(=O)O)c1} => ([O&X2&H1&!$(OC=*):1].[C&X3:2](=O)[O&X2&H1])>>(*-[O&X2:1].[C&X3:2](=O)-*) => *Oc1ccc(CC(=O)O)cc1C(*)=O | 10 |
11 | Cc1cc(C(=O)O)c(O)c(C(=O)Cl)c1 | null | *Oc1c(C(*)=O)cc(C)cc1C(=O)Cl | polyester | 6 | ([O&X2&H1&!$(OC=*):1].[C&X3:2](=O)[O&X2&H1])>>(*-[O&X2:1].[C&X3:2](=O)-*) | ('', 'Cc1cc(C(=O)O)c(O)c(C(=O)Cl)c1') | [[6*]C(=O)Cl] + [[16*]c1cc(C)cc(C(=O)O)c1O] -> [6*]-[*:1].[16*]-[*:2]>>[$([C&D3&!R](=O)-&!@[#0,#6,#7,#8]):1]-&!@[$([c&$(c(:c):c)]):2] -> [Cc1cc(C(=O)O)c(O)c(C(=O)Cl)c1] | null | {[[6*]C(=O)Cl] + [[16*]c1cc(C)cc(C(=O)O)c1O] -> [6*]-[*:1].[16*]-[*:2]>>[$([C&D3&!R](=O)-&!@[#0,#6,#7,#8]):1]-&!@[$([c&$(c(:c):c)]):2] -> [Cc1cc(C(=O)O)c(O)c(C(=O)Cl)c1]} => ([O&X2&H1&!$(OC=*):1].[C&X3:2](=O)[O&X2&H1])>>(*-[O&X2:1].[C&X3:2](=O)-*) => *Oc1c(C(*)=O)cc(C)cc1C(=O)Cl | {Cc1cc(C(=O)O)c(O)c(C(=O)Cl)c1} => ([O&X2&H1&!$(OC=*):1].[C&X3:2](=O)[O&X2&H1])>>(*-[O&X2:1].[C&X3:2](=O)-*) => *Oc1c(C(*)=O)cc(C)cc1C(=O)Cl | 11 |
12 | O=C(O)CCc1cc(C(=O)Cl)ccc1O | null | *Oc1ccc(C(=O)Cl)cc1CCC(*)=O | polyester | 6 | ([O&X2&H1&!$(OC=*):1].[C&X3:2](=O)[O&X2&H1])>>(*-[O&X2:1].[C&X3:2](=O)-*) | ('', 'O=C(O)CCc1cc(C(=O)Cl)ccc1O') | [[8*]CCC(=O)O] + [[16*]c1cc(C(=O)Cl)ccc1O] -> [8*]-[*:1].[16*]-[*:2]>>[$([C&!R&!D1&!$(C!-*)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [O=C(O)CCc1cc(C(=O)Cl)ccc1O] | null | {[[8*]CCC(=O)O] + [[16*]c1cc(C(=O)Cl)ccc1O] -> [8*]-[*:1].[16*]-[*:2]>>[$([C&!R&!D1&!$(C!-*)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [O=C(O)CCc1cc(C(=O)Cl)ccc1O]} => ([O&X2&H1&!$(OC=*):1].[C&X3:2](=O)[O&X2&H1])>>(*-[O&X2:1].[C&X3:2](=O)-*) => *Oc1ccc(C(=O)Cl)cc1CCC(*)=O | {O=C(O)CCc1cc(C(=O)Cl)ccc1O} => ([O&X2&H1&!$(OC=*):1].[C&X3:2](=O)[O&X2&H1])>>(*-[O&X2:1].[C&X3:2](=O)-*) => *Oc1ccc(C(=O)Cl)cc1CCC(*)=O | 12 |
13 | O=C(O)CCc1ccc(C(=O)O)cc1O | null | *Oc1cc(C(=O)O)ccc1CCC(*)=O | polyester | 6 | ([O&X2&H1&!$(OC=*):1].[C&X3:2](=O)[O&X2&H1])>>(*-[O&X2:1].[C&X3:2](=O)-*) | ('', 'O=C(O)CCc1ccc(C(=O)O)cc1O') | [[8*]CCC(=O)O] + [[16*]c1ccc(C(=O)O)cc1O] -> [8*]-[*:1].[16*]-[*:2]>>[$([C&!R&!D1&!$(C!-*)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [O=C(O)CCc1ccc(C(=O)O)cc1O] | null | {[[8*]CCC(=O)O] + [[16*]c1ccc(C(=O)O)cc1O] -> [8*]-[*:1].[16*]-[*:2]>>[$([C&!R&!D1&!$(C!-*)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [O=C(O)CCc1ccc(C(=O)O)cc1O]} => ([O&X2&H1&!$(OC=*):1].[C&X3:2](=O)[O&X2&H1])>>(*-[O&X2:1].[C&X3:2](=O)-*) => *Oc1cc(C(=O)O)ccc1CCC(*)=O | {O=C(O)CCc1ccc(C(=O)O)cc1O} => ([O&X2&H1&!$(OC=*):1].[C&X3:2](=O)[O&X2&H1])>>(*-[O&X2:1].[C&X3:2](=O)-*) => *Oc1cc(C(=O)O)ccc1CCC(*)=O | 13 |
14 | O=C(O)CCc1ccc(C(=O)O)cc1O | null | *Oc1cc(C(*)=O)ccc1CCC(=O)O | polyester | 6 | ([O&X2&H1&!$(OC=*):1].[C&X3:2](=O)[O&X2&H1])>>(*-[O&X2:1].[C&X3:2](=O)-*) | ('', 'O=C(O)CCc1ccc(C(=O)O)cc1O') | [[8*]CCC(=O)O] + [[16*]c1ccc(C(=O)O)cc1O] -> [8*]-[*:1].[16*]-[*:2]>>[$([C&!R&!D1&!$(C!-*)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [O=C(O)CCc1ccc(C(=O)O)cc1O] | null | {[[8*]CCC(=O)O] + [[16*]c1ccc(C(=O)O)cc1O] -> [8*]-[*:1].[16*]-[*:2]>>[$([C&!R&!D1&!$(C!-*)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [O=C(O)CCc1ccc(C(=O)O)cc1O]} => ([O&X2&H1&!$(OC=*):1].[C&X3:2](=O)[O&X2&H1])>>(*-[O&X2:1].[C&X3:2](=O)-*) => *Oc1cc(C(*)=O)ccc1CCC(=O)O | {O=C(O)CCc1ccc(C(=O)O)cc1O} => ([O&X2&H1&!$(OC=*):1].[C&X3:2](=O)[O&X2&H1])>>(*-[O&X2:1].[C&X3:2](=O)-*) => *Oc1cc(C(*)=O)ccc1CCC(=O)O | 14 |
15 | Cc1cc(CCC(=O)O)c(O)c(CC(=O)O)c1 | null | *Oc1c(CCC(*)=O)cc(C)cc1CC(=O)O | polyester | 6 | ([O&X2&H1&!$(OC=*):1].[C&X3:2](=O)[O&X2&H1])>>(*-[O&X2:1].[C&X3:2](=O)-*) | ('', 'Cc1cc(CCC(=O)O)c(O)c(CC(=O)O)c1') | [[8*]CC(=O)O] + [[16*]c1cc(C)cc(CCC(=O)O)c1O] -> [8*]-[*:1].[16*]-[*:2]>>[$([C&!R&!D1&!$(C!-*)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [Cc1cc(CCC(=O)O)c(O)c(CC(=O)O)c1] | null | {[[8*]CC(=O)O] + [[16*]c1cc(C)cc(CCC(=O)O)c1O] -> [8*]-[*:1].[16*]-[*:2]>>[$([C&!R&!D1&!$(C!-*)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [Cc1cc(CCC(=O)O)c(O)c(CC(=O)O)c1]} => ([O&X2&H1&!$(OC=*):1].[C&X3:2](=O)[O&X2&H1])>>(*-[O&X2:1].[C&X3:2](=O)-*) => *Oc1c(CCC(*)=O)cc(C)cc1CC(=O)O | {Cc1cc(CCC(=O)O)c(O)c(CC(=O)O)c1} => ([O&X2&H1&!$(OC=*):1].[C&X3:2](=O)[O&X2&H1])>>(*-[O&X2:1].[C&X3:2](=O)-*) => *Oc1c(CCC(*)=O)cc(C)cc1CC(=O)O | 15 |
16 | Cc1cc(CCC(=O)O)c(O)c(CC(=O)O)c1 | null | *Oc1c(CCC(=O)O)cc(C)cc1CC(*)=O | polyester | 6 | ([O&X2&H1&!$(OC=*):1].[C&X3:2](=O)[O&X2&H1])>>(*-[O&X2:1].[C&X3:2](=O)-*) | ('', 'Cc1cc(CCC(=O)O)c(O)c(CC(=O)O)c1') | [[8*]CC(=O)O] + [[16*]c1cc(C)cc(CCC(=O)O)c1O] -> [8*]-[*:1].[16*]-[*:2]>>[$([C&!R&!D1&!$(C!-*)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [Cc1cc(CCC(=O)O)c(O)c(CC(=O)O)c1] | null | {[[8*]CC(=O)O] + [[16*]c1cc(C)cc(CCC(=O)O)c1O] -> [8*]-[*:1].[16*]-[*:2]>>[$([C&!R&!D1&!$(C!-*)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [Cc1cc(CCC(=O)O)c(O)c(CC(=O)O)c1]} => ([O&X2&H1&!$(OC=*):1].[C&X3:2](=O)[O&X2&H1])>>(*-[O&X2:1].[C&X3:2](=O)-*) => *Oc1c(CCC(=O)O)cc(C)cc1CC(*)=O | {Cc1cc(CCC(=O)O)c(O)c(CC(=O)O)c1} => ([O&X2&H1&!$(OC=*):1].[C&X3:2](=O)[O&X2&H1])>>(*-[O&X2:1].[C&X3:2](=O)-*) => *Oc1c(CCC(=O)O)cc(C)cc1CC(*)=O | 16 |
17 | O=C(O)CCc1ccc(C(=O)O)c(O)c1 | null | *Oc1cc(CCC(*)=O)ccc1C(=O)O | polyester | 6 | ([O&X2&H1&!$(OC=*):1].[C&X3:2](=O)[O&X2&H1])>>(*-[O&X2:1].[C&X3:2](=O)-*) | ('', 'O=C(O)CCc1ccc(C(=O)O)c(O)c1') | [[8*]CCC(=O)O] + [[16*]c1ccc(C(=O)O)c(O)c1] -> [8*]-[*:1].[16*]-[*:2]>>[$([C&!R&!D1&!$(C!-*)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [O=C(O)CCc1ccc(C(=O)O)c(O)c1] | null | {[[8*]CCC(=O)O] + [[16*]c1ccc(C(=O)O)c(O)c1] -> [8*]-[*:1].[16*]-[*:2]>>[$([C&!R&!D1&!$(C!-*)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [O=C(O)CCc1ccc(C(=O)O)c(O)c1]} => ([O&X2&H1&!$(OC=*):1].[C&X3:2](=O)[O&X2&H1])>>(*-[O&X2:1].[C&X3:2](=O)-*) => *Oc1cc(CCC(*)=O)ccc1C(=O)O | {O=C(O)CCc1ccc(C(=O)O)c(O)c1} => ([O&X2&H1&!$(OC=*):1].[C&X3:2](=O)[O&X2&H1])>>(*-[O&X2:1].[C&X3:2](=O)-*) => *Oc1cc(CCC(*)=O)ccc1C(=O)O | 17 |
18 | O=C(O)CCc1ccc(C(=O)O)c(O)c1 | null | *Oc1cc(CCC(=O)O)ccc1C(*)=O | polyester | 6 | ([O&X2&H1&!$(OC=*):1].[C&X3:2](=O)[O&X2&H1])>>(*-[O&X2:1].[C&X3:2](=O)-*) | ('', 'O=C(O)CCc1ccc(C(=O)O)c(O)c1') | [[8*]CCC(=O)O] + [[16*]c1ccc(C(=O)O)c(O)c1] -> [8*]-[*:1].[16*]-[*:2]>>[$([C&!R&!D1&!$(C!-*)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [O=C(O)CCc1ccc(C(=O)O)c(O)c1] | null | {[[8*]CCC(=O)O] + [[16*]c1ccc(C(=O)O)c(O)c1] -> [8*]-[*:1].[16*]-[*:2]>>[$([C&!R&!D1&!$(C!-*)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [O=C(O)CCc1ccc(C(=O)O)c(O)c1]} => ([O&X2&H1&!$(OC=*):1].[C&X3:2](=O)[O&X2&H1])>>(*-[O&X2:1].[C&X3:2](=O)-*) => *Oc1cc(CCC(=O)O)ccc1C(*)=O | {O=C(O)CCc1ccc(C(=O)O)c(O)c1} => ([O&X2&H1&!$(OC=*):1].[C&X3:2](=O)[O&X2&H1])>>(*-[O&X2:1].[C&X3:2](=O)-*) => *Oc1cc(CCC(=O)O)ccc1C(*)=O | 18 |
19 | O=C(O)c1ccc(O)c(C(=O)O)c1 | null | *Oc1ccc(C(*)=O)cc1C(=O)O | polyester | 6 | ([O&X2&H1&!$(OC=*):1].[C&X3:2](=O)[O&X2&H1])>>(*-[O&X2:1].[C&X3:2](=O)-*) | ('', 'O=C(O)c1ccc(O)c(C(=O)O)c1') | [[6*]C(=O)O] + [[16*]c1cc(C(=O)O)ccc1O] -> [6*]-[*:1].[16*]-[*:2]>>[$([C&D3&!R](=O)-&!@[#0,#6,#7,#8]):1]-&!@[$([c&$(c(:c):c)]):2] -> [O=C(O)c1ccc(O)c(C(=O)O)c1] | null | {[[6*]C(=O)O] + [[16*]c1cc(C(=O)O)ccc1O] -> [6*]-[*:1].[16*]-[*:2]>>[$([C&D3&!R](=O)-&!@[#0,#6,#7,#8]):1]-&!@[$([c&$(c(:c):c)]):2] -> [O=C(O)c1ccc(O)c(C(=O)O)c1]} => ([O&X2&H1&!$(OC=*):1].[C&X3:2](=O)[O&X2&H1])>>(*-[O&X2:1].[C&X3:2](=O)-*) => *Oc1ccc(C(*)=O)cc1C(=O)O | {O=C(O)c1ccc(O)c(C(=O)O)c1} => ([O&X2&H1&!$(OC=*):1].[C&X3:2](=O)[O&X2&H1])>>(*-[O&X2:1].[C&X3:2](=O)-*) => *Oc1ccc(C(*)=O)cc1C(=O)O | 19 |
20 | O=C(O)c1ccc(O)c(C(=O)O)c1 | null | *Oc1ccc(C(=O)O)cc1C(*)=O | polyester | 6 | ([O&X2&H1&!$(OC=*):1].[C&X3:2](=O)[O&X2&H1])>>(*-[O&X2:1].[C&X3:2](=O)-*) | ('', 'O=C(O)c1ccc(O)c(C(=O)O)c1') | [[6*]C(=O)O] + [[16*]c1cc(C(=O)O)ccc1O] -> [6*]-[*:1].[16*]-[*:2]>>[$([C&D3&!R](=O)-&!@[#0,#6,#7,#8]):1]-&!@[$([c&$(c(:c):c)]):2] -> [O=C(O)c1ccc(O)c(C(=O)O)c1] | null | {[[6*]C(=O)O] + [[16*]c1cc(C(=O)O)ccc1O] -> [6*]-[*:1].[16*]-[*:2]>>[$([C&D3&!R](=O)-&!@[#0,#6,#7,#8]):1]-&!@[$([c&$(c(:c):c)]):2] -> [O=C(O)c1ccc(O)c(C(=O)O)c1]} => ([O&X2&H1&!$(OC=*):1].[C&X3:2](=O)[O&X2&H1])>>(*-[O&X2:1].[C&X3:2](=O)-*) => *Oc1ccc(C(=O)O)cc1C(*)=O | {O=C(O)c1ccc(O)c(C(=O)O)c1} => ([O&X2&H1&!$(OC=*):1].[C&X3:2](=O)[O&X2&H1])>>(*-[O&X2:1].[C&X3:2](=O)-*) => *Oc1ccc(C(=O)O)cc1C(*)=O | 20 |
21 | O=C(O)c1cccc(C(=O)O)c1O | null | *Oc1c(C(*)=O)cccc1C(=O)O | polyester | 6 | ([O&X2&H1&!$(OC=*):1].[C&X3:2](=O)[O&X2&H1])>>(*-[O&X2:1].[C&X3:2](=O)-*) | ('', 'O=C(O)c1cccc(C(=O)O)c1O') | [[6*]C(=O)O] + [[16*]c1cccc(C(=O)O)c1O] -> [6*]-[*:1].[16*]-[*:2]>>[$([C&D3&!R](=O)-&!@[#0,#6,#7,#8]):1]-&!@[$([c&$(c(:c):c)]):2] -> [O=C(O)c1cccc(C(=O)O)c1O] | null | {[[6*]C(=O)O] + [[16*]c1cccc(C(=O)O)c1O] -> [6*]-[*:1].[16*]-[*:2]>>[$([C&D3&!R](=O)-&!@[#0,#6,#7,#8]):1]-&!@[$([c&$(c(:c):c)]):2] -> [O=C(O)c1cccc(C(=O)O)c1O]} => ([O&X2&H1&!$(OC=*):1].[C&X3:2](=O)[O&X2&H1])>>(*-[O&X2:1].[C&X3:2](=O)-*) => *Oc1c(C(*)=O)cccc1C(=O)O | {O=C(O)c1cccc(C(=O)O)c1O} => ([O&X2&H1&!$(OC=*):1].[C&X3:2](=O)[O&X2&H1])>>(*-[O&X2:1].[C&X3:2](=O)-*) => *Oc1c(C(*)=O)cccc1C(=O)O | 21 |
22 | O=C(O)Cc1ccc(CC(=O)O)c(O)c1 | null | *Oc1cc(CC(*)=O)ccc1CC(=O)O | polyester | 6 | ([O&X2&H1&!$(OC=*):1].[C&X3:2](=O)[O&X2&H1])>>(*-[O&X2:1].[C&X3:2](=O)-*) | ('', 'O=C(O)Cc1ccc(CC(=O)O)c(O)c1') | [[8*]CC(=O)O] + [[16*]c1ccc(CC(=O)O)c(O)c1] -> [8*]-[*:1].[16*]-[*:2]>>[$([C&!R&!D1&!$(C!-*)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [O=C(O)Cc1ccc(CC(=O)O)c(O)c1] | null | {[[8*]CC(=O)O] + [[16*]c1ccc(CC(=O)O)c(O)c1] -> [8*]-[*:1].[16*]-[*:2]>>[$([C&!R&!D1&!$(C!-*)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [O=C(O)Cc1ccc(CC(=O)O)c(O)c1]} => ([O&X2&H1&!$(OC=*):1].[C&X3:2](=O)[O&X2&H1])>>(*-[O&X2:1].[C&X3:2](=O)-*) => *Oc1cc(CC(*)=O)ccc1CC(=O)O | {O=C(O)Cc1ccc(CC(=O)O)c(O)c1} => ([O&X2&H1&!$(OC=*):1].[C&X3:2](=O)[O&X2&H1])>>(*-[O&X2:1].[C&X3:2](=O)-*) => *Oc1cc(CC(*)=O)ccc1CC(=O)O | 22 |
23 | O=C(O)Cc1ccc(CC(=O)O)c(O)c1 | null | *Oc1cc(CC(=O)O)ccc1CC(*)=O | polyester | 6 | ([O&X2&H1&!$(OC=*):1].[C&X3:2](=O)[O&X2&H1])>>(*-[O&X2:1].[C&X3:2](=O)-*) | ('', 'O=C(O)Cc1ccc(CC(=O)O)c(O)c1') | [[8*]CC(=O)O] + [[16*]c1ccc(CC(=O)O)c(O)c1] -> [8*]-[*:1].[16*]-[*:2]>>[$([C&!R&!D1&!$(C!-*)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [O=C(O)Cc1ccc(CC(=O)O)c(O)c1] | null | {[[8*]CC(=O)O] + [[16*]c1ccc(CC(=O)O)c(O)c1] -> [8*]-[*:1].[16*]-[*:2]>>[$([C&!R&!D1&!$(C!-*)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [O=C(O)Cc1ccc(CC(=O)O)c(O)c1]} => ([O&X2&H1&!$(OC=*):1].[C&X3:2](=O)[O&X2&H1])>>(*-[O&X2:1].[C&X3:2](=O)-*) => *Oc1cc(CC(=O)O)ccc1CC(*)=O | {O=C(O)Cc1ccc(CC(=O)O)c(O)c1} => ([O&X2&H1&!$(OC=*):1].[C&X3:2](=O)[O&X2&H1])>>(*-[O&X2:1].[C&X3:2](=O)-*) => *Oc1cc(CC(=O)O)ccc1CC(*)=O | 23 |
24 | O=C(O)CCc1cccc(C(=O)Cl)c1O | null | *Oc1c(CCC(*)=O)cccc1C(=O)Cl | polyester | 6 | ([O&X2&H1&!$(OC=*):1].[C&X3:2](=O)[O&X2&H1])>>(*-[O&X2:1].[C&X3:2](=O)-*) | ('', 'O=C(O)CCc1cccc(C(=O)Cl)c1O') | [[8*]CCC(=O)O] + [[16*]c1cccc(C(=O)Cl)c1O] -> [8*]-[*:1].[16*]-[*:2]>>[$([C&!R&!D1&!$(C!-*)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [O=C(O)CCc1cccc(C(=O)Cl)c1O] | null | {[[8*]CCC(=O)O] + [[16*]c1cccc(C(=O)Cl)c1O] -> [8*]-[*:1].[16*]-[*:2]>>[$([C&!R&!D1&!$(C!-*)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [O=C(O)CCc1cccc(C(=O)Cl)c1O]} => ([O&X2&H1&!$(OC=*):1].[C&X3:2](=O)[O&X2&H1])>>(*-[O&X2:1].[C&X3:2](=O)-*) => *Oc1c(CCC(*)=O)cccc1C(=O)Cl | {O=C(O)CCc1cccc(C(=O)Cl)c1O} => ([O&X2&H1&!$(OC=*):1].[C&X3:2](=O)[O&X2&H1])>>(*-[O&X2:1].[C&X3:2](=O)-*) => *Oc1c(CCC(*)=O)cccc1C(=O)Cl | 24 |
25 | O=C(O)CCc1ccc(O)c(S(=O)(=O)c2cc(C(=O)O)ccc2O)c1 | null | *Oc1ccc(CCC(*)=O)cc1S(=O)(=O)c1cc(C(*)=O)ccc1O* | polyester | 6 | ([O&X2&H1&!$(OC=*):1].[C&X3:2](=O)[O&X2&H1])>>(*-[O&X2:1].[C&X3:2](=O)-*) | ('', 'O=C(O)CCc1ccc(O)c(S(=O)(=O)c2cc(C(=O)O)ccc2O)c1') | [[8*]CCC(=O)O] + [[16*]c1ccc(O)c(S(=O)(=O)c2cc(C(=O)O)ccc2O)c1] -> [8*]-[*:1].[16*]-[*:2]>>[$([C&!R&!D1&!$(C!-*)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [O=C(O)CCc1ccc(O)c(S(=O)(=O)c2cc(C(=O)O)ccc2O)c1] | null | {[[8*]CCC(=O)O] + [[16*]c1ccc(O)c(S(=O)(=O)c2cc(C(=O)O)ccc2O)c1] -> [8*]-[*:1].[16*]-[*:2]>>[$([C&!R&!D1&!$(C!-*)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [O=C(O)CCc1ccc(O)c(S(=O)(=O)c2cc(C(=O)O)ccc2O)c1]} => ([O&X2&H1&!$(OC=*):1].[C&X3:2](=O)[O&X2&H1])>>(*-[O&X2:1].[C&X3:2](=O)-*) => *Oc1ccc(CCC(*)=O)cc1S(=O)(=O)c1cc(C(*)=O)c... | {O=C(O)CCc1ccc(O)c(S(=O)(=O)c2cc(C(=O)O)ccc2O)c1} => ([O&X2&H1&!$(OC=*):1].[C&X3:2](=O)[O&X2&H1])>>(*-[O&X2:1].[C&X3:2](=O)-*) => *Oc1ccc(CCC(*)=O)cc1S(=O)(=O)c1cc(C(*)=O)ccc1O* | 25 |
26 | Cc1cc(C2CCCC(=O)O2)cc(-c2ccc(O)c(N)c2)c1N | null | *OC(CCCC(*)=O)c1cc(C)c(N)c(-c2ccc(O)c(N)c2)c1 | polyester | 4 | [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) | ('', 'Cc1cc(C2CCCC(=O)O2)cc(-c2ccc(O)c(N)c2)c1N') | [[13*]C1CCCC(=O)O1] + [[16*]c1cc(C)c(N)c(-c2ccc(O)c(N)c2)c1] -> [13*]-[*:1].[16*]-[*:2]>>[$([C&$(C(-&@[C,N,O,S])-&@[N,O,S])]):1]-&!@[$([c&$(c(:c):c)]):2] -> [Cc1cc(C2CCCC(=O)O2)cc(-c2ccc(O)c(N)c2)c1N] | null | {[[13*]C1CCCC(=O)O1] + [[16*]c1cc(C)c(N)c(-c2ccc(O)c(N)c2)c1] -> [13*]-[*:1].[16*]-[*:2]>>[$([C&$(C(-&@[C,N,O,S])-&@[N,O,S])]):1]-&!@[$([c&$(c(:c):c)]):2] -> [Cc1cc(C2CCCC(=O)O2)cc(-c2ccc(O)c(N)c2)c1N]} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)c1cc(C)c(N)c(-c2ccc(O)c(N)c2)c1 | {Cc1cc(C2CCCC(=O)O2)cc(-c2ccc(O)c(N)c2)c1N} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)c1cc(C)c(N)c(-c2ccc(O)c(N)c2)c1 | 26 |
27 | Cc1cc(-c2ccc(N)c(Cl)c2)cc(C2(C)CCOC(=O)C2)c1N | null | *OCCC(C)(CC(*)=O)c1cc(-c2ccc(N)c(Cl)c2)cc(C)c1N | polyester | 4 | [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) | ('', 'Cc1cc(-c2ccc(N)c(Cl)c2)cc(C2(C)CCOC(=O)C2)c1N') | [[16*]c1ccc(N)c(Cl)c1] + [[16*]c1cc(C)c(N)c(C2(C)CCOC(=O)C2)c1] -> [16*]-[*:1].[16*]-[*:2]>>[$([c&$(c(:c):c)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [Cc1cc(-c2ccc(N)c(Cl)c2)cc(C2(C)CCOC(=O)C2)c1N] | null | {[[16*]c1ccc(N)c(Cl)c1] + [[16*]c1cc(C)c(N)c(C2(C)CCOC(=O)C2)c1] -> [16*]-[*:1].[16*]-[*:2]>>[$([c&$(c(:c):c)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [Cc1cc(-c2ccc(N)c(Cl)c2)cc(C2(C)CCOC(=O)C2)c1N]} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OCCC(C)(CC(*)=O)c1cc(-c2ccc(N)c(Cl)c2)cc(C)c1N | {Cc1cc(-c2ccc(N)c(Cl)c2)cc(C2(C)CCOC(=O)C2)c1N} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OCCC(C)(CC(*)=O)c1cc(-c2ccc(N)c(Cl)c2)cc(C)c1N | 27 |
28 | Cc1cc(C2CCCC(=O)O2)cc(-c2ccc(N)cc2)c1N | null | *OC(CCCC(*)=O)c1cc(C)c(N)c(-c2ccc(N)cc2)c1 | polyester | 4 | [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) | ('', 'Cc1cc(C2CCCC(=O)O2)cc(-c2ccc(N)cc2)c1N') | [[13*]C1CCCC(=O)O1] + [[16*]c1cc(C)c(N)c(-c2ccc(N)cc2)c1] -> [13*]-[*:1].[16*]-[*:2]>>[$([C&$(C(-&@[C,N,O,S])-&@[N,O,S])]):1]-&!@[$([c&$(c(:c):c)]):2] -> [Cc1cc(C2CCCC(=O)O2)cc(-c2ccc(N)cc2)c1N] | null | {[[13*]C1CCCC(=O)O1] + [[16*]c1cc(C)c(N)c(-c2ccc(N)cc2)c1] -> [13*]-[*:1].[16*]-[*:2]>>[$([C&$(C(-&@[C,N,O,S])-&@[N,O,S])]):1]-&!@[$([c&$(c(:c):c)]):2] -> [Cc1cc(C2CCCC(=O)O2)cc(-c2ccc(N)cc2)c1N]} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)c1cc(C)c(N)c(-c2ccc(N)cc2)c1 | {Cc1cc(C2CCCC(=O)O2)cc(-c2ccc(N)cc2)c1N} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)c1cc(C)c(N)c(-c2ccc(N)cc2)c1 | 28 |
29 | O=C1CCCC(C(=O)ON2C(=O)CCC2=O)O1 | null | *OC(CCCC(*)=O)C(=O)ON1C(=O)CCC1=O | polyester | 4 | [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) | ('', 'O=C1CCCC(C(=O)ON2C(=O)CCC2=O)O1') | [[13*]C1CCCC(=O)O1] + [[6*]C(=O)ON1C(=O)CCC1=O] -> [6*]-[*:1].[13*]-[*:2]>>[$([C&D3&!R](=O)-&!@[#0,#6,#7,#8]):1]-&!@[$([C&$(C(-&@[C,N,O,S])-&@[N,O,S])]):2] -> [O=C1CCCC(C(=O)ON2C(=O)CCC2=O)O1] | null | {[[13*]C1CCCC(=O)O1] + [[6*]C(=O)ON1C(=O)CCC1=O] -> [6*]-[*:1].[13*]-[*:2]>>[$([C&D3&!R](=O)-&!@[#0,#6,#7,#8]):1]-&!@[$([C&$(C(-&@[C,N,O,S])-&@[N,O,S])]):2] -> [O=C1CCCC(C(=O)ON2C(=O)CCC2=O)O1]} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)C(=O)ON1C(=O)CCC1=O | {O=C1CCCC(C(=O)ON2C(=O)CCC2=O)O1} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)C(=O)ON1C(=O)CCC1=O | 29 |
30 | Cc1cc(-c2ccc(O)c(Br)c2)ccc1C1(C)CCOC(=O)C1 | null | *OCCC(C)(CC(*)=O)c1ccc(-c2ccc(O)c(Br)c2)cc1C | polyester | 4 | [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) | ('', 'Cc1cc(-c2ccc(O)c(Br)c2)ccc1C1(C)CCOC(=O)C1') | [[15*]C1(C)CCOC(=O)C1] + [[16*]c1ccc(-c2ccc(O)c(Br)c2)cc1C] -> [15*]-[*:1].[16*]-[*:2]>>[$([C&$(C(-&@C)-&@C)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [Cc1cc(-c2ccc(O)c(Br)c2)ccc1C1(C)CCOC(=O)C1] | null | {[[15*]C1(C)CCOC(=O)C1] + [[16*]c1ccc(-c2ccc(O)c(Br)c2)cc1C] -> [15*]-[*:1].[16*]-[*:2]>>[$([C&$(C(-&@C)-&@C)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [Cc1cc(-c2ccc(O)c(Br)c2)ccc1C1(C)CCOC(=O)C1]} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OCCC(C)(CC(*)=O)c1ccc(-c2ccc(O)c(Br)c2)cc1C | {Cc1cc(-c2ccc(O)c(Br)c2)ccc1C1(C)CCOC(=O)C1} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OCCC(C)(CC(*)=O)c1ccc(-c2ccc(O)c(Br)c2)cc1C | 30 |
31 | CC(C)(C)CC(C)(C)c1ccncc1C1(C)CCOC(=O)C1 | null | *OCCC(C)(CC(*)=O)c1cnccc1C(C)(C)CC(C)(C)C | polyester | 4 | [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) | ('', 'CC(C)(C)CC(C)(C)c1ccncc1C1(C)CCOC(=O)C1') | [[15*]C1(C)CCOC(=O)C1] + [[16*]c1cnccc1C(C)(C)CC(C)(C)C] -> [15*]-[*:1].[16*]-[*:2]>>[$([C&$(C(-&@C)-&@C)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [CC(C)(C)CC(C)(C)c1ccncc1C1(C)CCOC(=O)C1] | null | {[[15*]C1(C)CCOC(=O)C1] + [[16*]c1cnccc1C(C)(C)CC(C)(C)C] -> [15*]-[*:1].[16*]-[*:2]>>[$([C&$(C(-&@C)-&@C)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [CC(C)(C)CC(C)(C)c1ccncc1C1(C)CCOC(=O)C1]} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OCCC(C)(CC(*)=O)c1cnccc1C(C)(C)CC(C)(C)C | {CC(C)(C)CC(C)(C)c1ccncc1C1(C)CCOC(=O)C1} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OCCC(C)(CC(*)=O)c1cnccc1C(C)(C)CC(C)(C)C | 31 |
32 | O=C1CCCC(SC(F)(F)C(F)(F)C(F)(F)F)O1 | null | *OC(CCCC(*)=O)SC(F)(F)C(F)(F)C(F)(F)F | polyester | 4 | [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) | ('', 'O=C1CCCC(SC(F)(F)C(F)(F)C(F)(F)F)O1') | [[13*]C1CCCC(=O)O1] + [[11*]SC(F)(F)C(F)(F)C(F)(F)F] -> [11*]-[*:1].[13*]-[*:2]>>[$([S&D2]-&!@[#0,#6]):1]-&!@[$([C&$(C(-&@[C,N,O,S])-&@[N,O,S])]):2] -> [O=C1CCCC(SC(F)(F)C(F)(F)C(F)(F)F)O1] | null | {[[13*]C1CCCC(=O)O1] + [[11*]SC(F)(F)C(F)(F)C(F)(F)F] -> [11*]-[*:1].[13*]-[*:2]>>[$([S&D2]-&!@[#0,#6]):1]-&!@[$([C&$(C(-&@[C,N,O,S])-&@[N,O,S])]):2] -> [O=C1CCCC(SC(F)(F)C(F)(F)C(F)(F)F)O1]} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)SC(F)(F)C(F)(F)C(F)(F)F | {O=C1CCCC(SC(F)(F)C(F)(F)C(F)(F)F)O1} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)SC(F)(F)C(F)(F)C(F)(F)F | 32 |
33 | CC1(c2sc(-c3cc(Cl)cc(Cl)c3O)c3c2OCCO3)CCOC(=O)C1 | null | *OCCC(C)(CC(*)=O)c1sc(-c2cc(Cl)cc(Cl)c2O)c2c1OCCO2 | polyester | 4 | [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) | ('', 'CC1(c2sc(-c3cc(Cl)cc(Cl)c3O)c3c2OCCO3)CCOC(=O)C1') | [[16*]c1cc(Cl)cc(Cl)c1O] + [[14*]c1sc(C2(C)CCOC(=O)C2)c2c1OCCO2] -> [14*]-[*:1].[16*]-[*:2]>>[$([c&$(c(:[c,n,o,s]):[n,o,s])]):1]-&!@[$([c&$(c(:c):c)]):2] -> [CC1(c2sc(-c3cc(Cl)cc(Cl)c3O)c3c2OCCO3)CCOC(=O)C1] | null | {[[16*]c1cc(Cl)cc(Cl)c1O] + [[14*]c1sc(C2(C)CCOC(=O)C2)c2c1OCCO2] -> [14*]-[*:1].[16*]-[*:2]>>[$([c&$(c(:[c,n,o,s]):[n,o,s])]):1]-&!@[$([c&$(c(:c):c)]):2] -> [CC1(c2sc(-c3cc(Cl)cc(Cl)c3O)c3c2OCCO3)CCOC(=O)C1]} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OCCC(C)(CC(*)=O)c1sc(-c2cc(Cl)cc(Cl)c2O)c... | {CC1(c2sc(-c3cc(Cl)cc(Cl)c3O)c3c2OCCO3)CCOC(=O)C1} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OCCC(C)(CC(*)=O)c1sc(-c2cc(Cl)cc(Cl)c2O)c2c1OCCO2 | 33 |
34 | O=C1CCCC(c2ccnc(-c3cccc4[nH]c5ccccc5c34)c2)O1 | null | *OC(CCCC(*)=O)c1ccnc(-c2cccc3[nH]c4ccccc4c23)c1 | polyester | 4 | [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) | ('', 'O=C1CCCC(c2ccnc(-c3cccc4[nH]c5ccccc5c34)c2)O1') | [[16*]c1cccc2[nH]c3ccccc3c12] + [[14*]c1cc(C2CCCC(=O)O2)ccn1] -> [14*]-[*:1].[16*]-[*:2]>>[$([c&$(c(:[c,n,o,s]):[n,o,s])]):1]-&!@[$([c&$(c(:c):c)]):2] -> [O=C1CCCC(c2ccnc(-c3cccc4[nH]c5ccccc5c34)c2)O1] | null | {[[16*]c1cccc2[nH]c3ccccc3c12] + [[14*]c1cc(C2CCCC(=O)O2)ccn1] -> [14*]-[*:1].[16*]-[*:2]>>[$([c&$(c(:[c,n,o,s]):[n,o,s])]):1]-&!@[$([c&$(c(:c):c)]):2] -> [O=C1CCCC(c2ccnc(-c3cccc4[nH]c5ccccc5c34)c2)O1]} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)c1ccnc(-c2cccc3[nH]c4ccccc4c23)c1 | {O=C1CCCC(c2ccnc(-c3cccc4[nH]c5ccccc5c34)c2)O1} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)c1ccnc(-c2cccc3[nH]c4ccccc4c23)c1 | 34 |
35 | O=C1CCCC(n2ccnc2C2CCCCO2)O1 | null | *OC(CCCC(*)=O)n1ccnc1C1CCCCO1 | polyester | 4 | [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) | ('', 'O=C1CCCC(n2ccnc2C2CCCCO2)O1') | [[13*]C1CCCC(=O)O1] + [[9*]n1ccnc1C1CCCCO1] -> [9*]-[*:1].[13*]-[*:2]>>[$([n&+0&$(n(:[c,n,o,s]):[c,n,o,s])]):1]-&!@[$([C&$(C(-&@[C,N,O,S])-&@[N,O,S])]):2] -> [O=C1CCCC(n2ccnc2C2CCCCO2)O1] | null | {[[13*]C1CCCC(=O)O1] + [[9*]n1ccnc1C1CCCCO1] -> [9*]-[*:1].[13*]-[*:2]>>[$([n&+0&$(n(:[c,n,o,s]):[c,n,o,s])]):1]-&!@[$([C&$(C(-&@[C,N,O,S])-&@[N,O,S])]):2] -> [O=C1CCCC(n2ccnc2C2CCCCO2)O1]} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)n1ccnc1C1CCCCO1 | {O=C1CCCC(n2ccnc2C2CCCCO2)O1} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)n1ccnc1C1CCCCO1 | 35 |
36 | O=C1CCCC(c2cc(N3C(=O)C=CC3=O)ccc2O)O1 | null | *OC(CCCC(*)=O)c1cc(N2C(=O)C=CC2=O)ccc1O | polyester | 4 | [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) | ('', 'O=C1CCCC(c2cc(N3C(=O)C=CC3=O)ccc2O)O1') | [[10*]N1C(=O)C=CC1=O] + [[16*]c1ccc(O)c(C2CCCC(=O)O2)c1] -> [10*]-[*:1].[16*]-[*:2]>>[$([N&R&$(N(@C=O)@[C,N,O,S])]):1]-&!@[$([c&$(c(:c):c)]):2] -> [O=C1CCCC(c2cc(N3C(=O)C=CC3=O)ccc2O)O1] | null | {[[10*]N1C(=O)C=CC1=O] + [[16*]c1ccc(O)c(C2CCCC(=O)O2)c1] -> [10*]-[*:1].[16*]-[*:2]>>[$([N&R&$(N(@C=O)@[C,N,O,S])]):1]-&!@[$([c&$(c(:c):c)]):2] -> [O=C1CCCC(c2cc(N3C(=O)C=CC3=O)ccc2O)O1]} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)c1cc(N2C(=O)C=CC2=O)ccc1O | {O=C1CCCC(c2cc(N3C(=O)C=CC3=O)ccc2O)O1} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)c1cc(N2C(=O)C=CC2=O)ccc1O | 36 |
37 | Cc1cccc(OC2CCCC(=O)O2)c1O | null | *OC(CCCC(*)=O)Oc1cccc(C)c1O | polyester | 4 | [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) | ('', 'Cc1cccc(OC2CCCC(=O)O2)c1O') | [[13*]C1CCCC(=O)O1] + [[3*]Oc1cccc(C)c1O] -> [3*]-[*:1].[13*]-[*:2]>>[$([O&D2]-&!@[#0,#6,#1]):1]-&!@[$([C&$(C(-&@[C,N,O,S])-&@[N,O,S])]):2] -> [Cc1cccc(OC2CCCC(=O)O2)c1O] | null | {[[13*]C1CCCC(=O)O1] + [[3*]Oc1cccc(C)c1O] -> [3*]-[*:1].[13*]-[*:2]>>[$([O&D2]-&!@[#0,#6,#1]):1]-&!@[$([C&$(C(-&@[C,N,O,S])-&@[N,O,S])]):2] -> [Cc1cccc(OC2CCCC(=O)O2)c1O]} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)Oc1cccc(C)c1O | {Cc1cccc(OC2CCCC(=O)O2)c1O} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)Oc1cccc(C)c1O | 37 |
38 | C=CCCCCCCc1cc(C)c(N)c(C2(C)CCOC(=O)C2)c1 | null | *OCCC(C)(CC(*)=O)c1cc(CCCCCCC=C)cc(C)c1N | polyester | 4 | [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) | ('', 'C=CCCCCCCc1cc(C)c(N)c(C2(C)CCOC(=O)C2)c1') | [[8*]CCCCCCC=C] + [[16*]c1cc(C)c(N)c(C2(C)CCOC(=O)C2)c1] -> [8*]-[*:1].[16*]-[*:2]>>[$([C&!R&!D1&!$(C!-*)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [C=CCCCCCCc1cc(C)c(N)c(C2(C)CCOC(=O)C2)c1] | null | {[[8*]CCCCCCC=C] + [[16*]c1cc(C)c(N)c(C2(C)CCOC(=O)C2)c1] -> [8*]-[*:1].[16*]-[*:2]>>[$([C&!R&!D1&!$(C!-*)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [C=CCCCCCCc1cc(C)c(N)c(C2(C)CCOC(=O)C2)c1]} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OCCC(C)(CC(*)=O)c1cc(CCCCCCC=C)cc(C)c1N | {C=CCCCCCCc1cc(C)c(N)c(C2(C)CCOC(=O)C2)c1} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OCCC(C)(CC(*)=O)c1cc(CCCCCCC=C)cc(C)c1N | 38 |
39 | O=C1CCCC(c2cccc(N3C(=O)C=CC3=O)c2O)O1 | null | *OC(CCCC(*)=O)c1cccc(N2C(=O)C=CC2=O)c1O | polyester | 4 | [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) | ('', 'O=C1CCCC(c2cccc(N3C(=O)C=CC3=O)c2O)O1') | [[10*]N1C(=O)C=CC1=O] + [[16*]c1cccc(C2CCCC(=O)O2)c1O] -> [10*]-[*:1].[16*]-[*:2]>>[$([N&R&$(N(@C=O)@[C,N,O,S])]):1]-&!@[$([c&$(c(:c):c)]):2] -> [O=C1CCCC(c2cccc(N3C(=O)C=CC3=O)c2O)O1] | null | {[[10*]N1C(=O)C=CC1=O] + [[16*]c1cccc(C2CCCC(=O)O2)c1O] -> [10*]-[*:1].[16*]-[*:2]>>[$([N&R&$(N(@C=O)@[C,N,O,S])]):1]-&!@[$([c&$(c(:c):c)]):2] -> [O=C1CCCC(c2cccc(N3C(=O)C=CC3=O)c2O)O1]} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)c1cccc(N2C(=O)C=CC2=O)c1O | {O=C1CCCC(c2cccc(N3C(=O)C=CC3=O)c2O)O1} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)c1cccc(N2C(=O)C=CC2=O)c1O | 39 |
40 | CC1(c2ccc(S(=O)(=O)c3ccc(-c4ccco4)cc3)cc2)CCOC(=O)C1 | null | *OCCC(C)(CC(*)=O)c1ccc(S(=O)(=O)c2ccc(-c3ccco3)cc2)cc1 | polyester | 4 | [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) | ('', 'CC1(c2ccc(S(=O)(=O)c3ccc(-c4ccco4)cc3)cc2)CCOC(=O)C1') | [[15*]C1(C)CCOC(=O)C1] + [[16*]c1ccc(S(=O)(=O)c2ccc(-c3ccco3)cc2)cc1] -> [15*]-[*:1].[16*]-[*:2]>>[$([C&$(C(-&@C)-&@C)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [CC1(c2ccc(S(=O)(=O)c3ccc(-c4ccco4)cc3)cc2)CCOC(=O)C1] | null | {[[15*]C1(C)CCOC(=O)C1] + [[16*]c1ccc(S(=O)(=O)c2ccc(-c3ccco3)cc2)cc1] -> [15*]-[*:1].[16*]-[*:2]>>[$([C&$(C(-&@C)-&@C)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [CC1(c2ccc(S(=O)(=O)c3ccc(-c4ccco4)cc3)cc2)CCOC(=O)C1]} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OCCC(C)(CC(*)=O)c1ccc(S(=O)(=O)c2ccc(-c3cc... | {CC1(c2ccc(S(=O)(=O)c3ccc(-c4ccco4)cc3)cc2)CCOC(=O)C1} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OCCC(C)(CC(*)=O)c1ccc(S(=O)(=O)c2ccc(-c3ccco3)cc2)cc1 | 40 |
41 | COCNc1cc(C2(C)CCOC(=O)C2)ccn1 | null | *OCCC(C)(CC(*)=O)c1ccnc(NCOC)c1 | polyester | 4 | [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) | ('', 'COCNc1cc(C2(C)CCOC(=O)C2)ccn1') | [[5*]NCOC] + [[14*]c1cc(C2(C)CCOC(=O)C2)ccn1] -> [5*]-[*:1].[14*]-[*:2]>>[$([N&!D1&!$(N=*)&!$(N-[!#6&!#16&!#0&!#1])&!$([N&R]@[C&R]=O)]):1]-&!@[$([c&$(c(:[c,n,o,s]):[n,o,s])]):2] -> [COCNc1cc(C2(C)CCOC(=O)C2)ccn1] | null | {[[5*]NCOC] + [[14*]c1cc(C2(C)CCOC(=O)C2)ccn1] -> [5*]-[*:1].[14*]-[*:2]>>[$([N&!D1&!$(N=*)&!$(N-[!#6&!#16&!#0&!#1])&!$([N&R]@[C&R]=O)]):1]-&!@[$([c&$(c(:[c,n,o,s]):[n,o,s])]):2] -> [COCNc1cc(C2(C)CCOC(=O)C2)ccn1]} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OCCC(C)(CC(*)=O)c1ccnc(NCOC)c1 | {COCNc1cc(C2(C)CCOC(=O)C2)ccn1} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OCCC(C)(CC(*)=O)c1ccnc(NCOC)c1 | 41 |
42 | CC1(c2ccc(N)cc2-c2ccc(S)cc2)CCOC(=O)C1 | null | *OCCC(C)(CC(*)=O)c1ccc(N)cc1-c1ccc(S)cc1 | polyester | 4 | [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) | ('', 'CC1(c2ccc(N)cc2-c2ccc(S)cc2)CCOC(=O)C1') | [[16*]c1ccc(S)cc1] + [[16*]c1cc(N)ccc1C1(C)CCOC(=O)C1] -> [16*]-[*:1].[16*]-[*:2]>>[$([c&$(c(:c):c)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [CC1(c2ccc(N)cc2-c2ccc(S)cc2)CCOC(=O)C1] | null | {[[16*]c1ccc(S)cc1] + [[16*]c1cc(N)ccc1C1(C)CCOC(=O)C1] -> [16*]-[*:1].[16*]-[*:2]>>[$([c&$(c(:c):c)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [CC1(c2ccc(N)cc2-c2ccc(S)cc2)CCOC(=O)C1]} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OCCC(C)(CC(*)=O)c1ccc(N)cc1-c1ccc(S)cc1 | {CC1(c2ccc(N)cc2-c2ccc(S)cc2)CCOC(=O)C1} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OCCC(C)(CC(*)=O)c1ccc(N)cc1-c1ccc(S)cc1 | 42 |
43 | CC1(c2nc[nH]c2-c2cccc(B3OC(C)(C)C(C)(C)O3)c2)CCOC(=O)C1 | null | *OCCC(C)(CC(*)=O)c1nc[nH]c1-c1cccc(B2OC(C)(C)C(C)(C)O2)c1 | polyester | 4 | [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) | ('', 'CC1(c2nc[nH]c2-c2cccc(B3OC(C)(C)C(C)(C)O3)c2)CCOC(=O)C1') | [[15*]C1(C)CCOC(=O)C1] + [[14*]c1nc[nH]c1-c1cccc(B2OC(C)(C)C(C)(C)O2)c1] -> [14*]-[*:1].[15*]-[*:2]>>[$([c&$(c(:[c,n,o,s]):[n,o,s])]):1]-&!@[$([C&$(C(-&@C)-&@C)]):2] -> [CC1(c2nc[nH]c2-c2cccc(B3OC(C)(C)C(C)(C)O3)c2)CCOC(=O)C1] | null | {[[15*]C1(C)CCOC(=O)C1] + [[14*]c1nc[nH]c1-c1cccc(B2OC(C)(C)C(C)(C)O2)c1] -> [14*]-[*:1].[15*]-[*:2]>>[$([c&$(c(:[c,n,o,s]):[n,o,s])]):1]-&!@[$([C&$(C(-&@C)-&@C)]):2] -> [CC1(c2nc[nH]c2-c2cccc(B3OC(C)(C)C(C)(C)O3)c2)CCOC(=O)C1]} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OCCC(C)(CC(*)=O)c1nc[n... | {CC1(c2nc[nH]c2-c2cccc(B3OC(C)(C)C(C)(C)O3)c2)CCOC(=O)C1} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OCCC(C)(CC(*)=O)c1nc[nH]c1-c1cccc(B2OC(C)(C)C(C)(C)O2)c1 | 43 |
44 | COCNc1ccc(O)c(C2CCCC(=O)O2)c1 | null | *OC(CCCC(*)=O)c1cc(NCOC)ccc1O | polyester | 4 | [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) | ('', 'COCNc1ccc(O)c(C2CCCC(=O)O2)c1') | [[5*]NCOC] + [[16*]c1ccc(O)c(C2CCCC(=O)O2)c1] -> [5*]-[*:1].[16*]-[*:2]>>[$([N&!D1&!$(N=*)&!$(N-[!#6&!#16&!#0&!#1])&!$([N&R]@[C&R]=O)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [COCNc1ccc(O)c(C2CCCC(=O)O2)c1] | null | {[[5*]NCOC] + [[16*]c1ccc(O)c(C2CCCC(=O)O2)c1] -> [5*]-[*:1].[16*]-[*:2]>>[$([N&!D1&!$(N=*)&!$(N-[!#6&!#16&!#0&!#1])&!$([N&R]@[C&R]=O)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [COCNc1ccc(O)c(C2CCCC(=O)O2)c1]} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)c1cc(NCOC)ccc1O | {COCNc1ccc(O)c(C2CCCC(=O)O2)c1} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)c1cc(NCOC)ccc1O | 44 |
45 | CC(C)(C1CCCC(=O)O1)N1CCOC1=O | null | *OCCN(C(*)=O)C(C)(C)C(CCCC(*)=O)O* | polyester | 4 | [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) | ('', 'CC(C)(C1CCCC(=O)O1)N1CCOC1=O') | [[10*]N1CCOC1=O] + [[8*]C(C)(C)C1CCCC(=O)O1] -> [8*]-[*:1].[10*]-[*:2]>>[$([C&!R&!D1&!$(C!-*)]):1]-&!@[$([N&R&$(N(@C=O)@[C,N,O,S])]):2] -> [CC(C)(C1CCCC(=O)O1)N1CCOC1=O] | null | {[[10*]N1CCOC1=O] + [[8*]C(C)(C)C1CCCC(=O)O1] -> [8*]-[*:1].[10*]-[*:2]>>[$([C&!R&!D1&!$(C!-*)]):1]-&!@[$([N&R&$(N(@C=O)@[C,N,O,S])]):2] -> [CC(C)(C1CCCC(=O)O1)N1CCOC1=O]} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OCCN(C(*)=O)C(C)(C)C(CCCC(*)=O)O* | {CC(C)(C1CCCC(=O)O1)N1CCOC1=O} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OCCN(C(*)=O)C(C)(C)C(CCCC(*)=O)O* | 45 |
46 | O=C1CCCC(c2c(F)c(F)c(ON3C(=O)CCC3=O)c(F)c2F)O1 | null | *OC(CCCC(*)=O)c1c(F)c(F)c(ON2C(=O)CCC2=O)c(F)c1F | polyester | 4 | [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) | ('', 'O=C1CCCC(c2c(F)c(F)c(ON3C(=O)CCC3=O)c(F)c2F)O1') | [[3*]ON1C(=O)CCC1=O] + [[16*]c1c(F)c(F)c(C2CCCC(=O)O2)c(F)c1F] -> [3*]-[*:1].[16*]-[*:2]>>[$([O&D2]-&!@[#0,#6,#1]):1]-&!@[$([c&$(c(:c):c)]):2] -> [O=C1CCCC(c2c(F)c(F)c(ON3C(=O)CCC3=O)c(F)c2F)O1] | null | {[[3*]ON1C(=O)CCC1=O] + [[16*]c1c(F)c(F)c(C2CCCC(=O)O2)c(F)c1F] -> [3*]-[*:1].[16*]-[*:2]>>[$([O&D2]-&!@[#0,#6,#1]):1]-&!@[$([c&$(c(:c):c)]):2] -> [O=C1CCCC(c2c(F)c(F)c(ON3C(=O)CCC3=O)c(F)c2F)O1]} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)c1c(F)c(F)c(ON2C(=O)CCC2=O)c(F)c1F | {O=C1CCCC(c2c(F)c(F)c(ON3C(=O)CCC3=O)c(F)c2F)O1} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)c1c(F)c(F)c(ON2C(=O)CCC2=O)c(F)c1F | 46 |
47 | CC1(c2ccc(-c3ccc(O)c(N)c3)cc2)CCOC(=O)C1 | null | *OCCC(C)(CC(*)=O)c1ccc(-c2ccc(O)c(N)c2)cc1 | polyester | 4 | [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) | ('', 'CC1(c2ccc(-c3ccc(O)c(N)c3)cc2)CCOC(=O)C1') | [[15*]C1(C)CCOC(=O)C1] + [[16*]c1ccc(-c2ccc(O)c(N)c2)cc1] -> [15*]-[*:1].[16*]-[*:2]>>[$([C&$(C(-&@C)-&@C)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [CC1(c2ccc(-c3ccc(O)c(N)c3)cc2)CCOC(=O)C1] | null | {[[15*]C1(C)CCOC(=O)C1] + [[16*]c1ccc(-c2ccc(O)c(N)c2)cc1] -> [15*]-[*:1].[16*]-[*:2]>>[$([C&$(C(-&@C)-&@C)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [CC1(c2ccc(-c3ccc(O)c(N)c3)cc2)CCOC(=O)C1]} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OCCC(C)(CC(*)=O)c1ccc(-c2ccc(O)c(N)c2)cc1 | {CC1(c2ccc(-c3ccc(O)c(N)c3)cc2)CCOC(=O)C1} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OCCC(C)(CC(*)=O)c1ccc(-c2ccc(O)c(N)c2)cc1 | 47 |
48 | COCNc1ccc(O)c(S(=O)(=O)c2cc(C3CCCC(=O)O3)ccc2O)c1 | null | *OC(CCCC(*)=O)c1ccc(O)c(S(=O)(=O)c2cc(NCOC)ccc2O)c1 | polyester | 4 | [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) | ('', 'COCNc1ccc(O)c(S(=O)(=O)c2cc(C3CCCC(=O)O3)ccc2O)c1') | [[5*]NCOC] + [[16*]c1ccc(O)c(S(=O)(=O)c2cc(C3CCCC(=O)O3)ccc2O)c1] -> [5*]-[*:1].[16*]-[*:2]>>[$([N&!D1&!$(N=*)&!$(N-[!#6&!#16&!#0&!#1])&!$([N&R]@[C&R]=O)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [COCNc1ccc(O)c(S(=O)(=O)c2cc(C3CCCC(=O)O3)ccc2O)c1] | null | {[[5*]NCOC] + [[16*]c1ccc(O)c(S(=O)(=O)c2cc(C3CCCC(=O)O3)ccc2O)c1] -> [5*]-[*:1].[16*]-[*:2]>>[$([N&!D1&!$(N=*)&!$(N-[!#6&!#16&!#0&!#1])&!$([N&R]@[C&R]=O)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [COCNc1ccc(O)c(S(=O)(=O)c2cc(C3CCCC(=O)O3)ccc2O)c1]} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)... | {COCNc1ccc(O)c(S(=O)(=O)c2cc(C3CCCC(=O)O3)ccc2O)c1} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)c1ccc(O)c(S(=O)(=O)c2cc(NCOC)ccc2O)c1 | 48 |
49 | CC(C)c1cccc(N=Nc2cccc(C3CCCC(=O)O3)c2)c1 | null | *OC(CCCC(*)=O)c1cccc(N=Nc2cccc(C(C)C)c2)c1 | polyester | 4 | [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) | ('', 'CC(C)c1cccc(N=Nc2cccc(C3CCCC(=O)O3)c2)c1') | [[8*]C(C)C] + [[16*]c1cccc(N=Nc2cccc(C3CCCC(=O)O3)c2)c1] -> [8*]-[*:1].[16*]-[*:2]>>[$([C&!R&!D1&!$(C!-*)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [CC(C)c1cccc(N=Nc2cccc(C3CCCC(=O)O3)c2)c1] | null | {[[8*]C(C)C] + [[16*]c1cccc(N=Nc2cccc(C3CCCC(=O)O3)c2)c1] -> [8*]-[*:1].[16*]-[*:2]>>[$([C&!R&!D1&!$(C!-*)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [CC(C)c1cccc(N=Nc2cccc(C3CCCC(=O)O3)c2)c1]} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)c1cccc(N=Nc2cccc(C(C)C)c2)c1 | {CC(C)c1cccc(N=Nc2cccc(C3CCCC(=O)O3)c2)c1} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)c1cccc(N=Nc2cccc(C(C)C)c2)c1 | 49 |
50 | O=C1CCCC(Cc2ccccc2O)O1 | null | *OC(CCCC(*)=O)Cc1ccccc1O | polyester | 4 | [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) | ('', 'O=C1CCCC(Cc2ccccc2O)O1') | [[16*]c1ccccc1O] + [[8*]CC1CCCC(=O)O1] -> [8*]-[*:1].[16*]-[*:2]>>[$([C&!R&!D1&!$(C!-*)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [O=C1CCCC(Cc2ccccc2O)O1] | null | {[[16*]c1ccccc1O] + [[8*]CC1CCCC(=O)O1] -> [8*]-[*:1].[16*]-[*:2]>>[$([C&!R&!D1&!$(C!-*)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [O=C1CCCC(Cc2ccccc2O)O1]} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)Cc1ccccc1O | {O=C1CCCC(Cc2ccccc2O)O1} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)Cc1ccccc1O | 50 |
51 | O=C1CCCC(c2cc(=O)cc(CS)o2)O1 | null | *OC(CCCC(*)=O)c1cc(=O)cc(CS)o1 | polyester | 4 | [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) | ('', 'O=C1CCCC(c2cc(=O)cc(CS)o2)O1') | [[13*]C1CCCC(=O)O1] + [[14*]c1cc(=O)cc(CS)o1] -> [13*]-[*:1].[14*]-[*:2]>>[$([C&$(C(-&@[C,N,O,S])-&@[N,O,S])]):1]-&!@[$([c&$(c(:[c,n,o,s]):[n,o,s])]):2] -> [O=C1CCCC(c2cc(=O)cc(CS)o2)O1] | null | {[[13*]C1CCCC(=O)O1] + [[14*]c1cc(=O)cc(CS)o1] -> [13*]-[*:1].[14*]-[*:2]>>[$([C&$(C(-&@[C,N,O,S])-&@[N,O,S])]):1]-&!@[$([c&$(c(:[c,n,o,s]):[n,o,s])]):2] -> [O=C1CCCC(c2cc(=O)cc(CS)o2)O1]} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)c1cc(=O)cc(CS)o1 | {O=C1CCCC(c2cc(=O)cc(CS)o2)O1} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)c1cc(=O)cc(CS)o1 | 51 |
52 | CO[Si](CCc1ccc(O)c(S(=O)(=O)c2cc(C3(C)CCOC(=O)C3)ccc2O)c1)(OC)OC | null | *OCCC(C)(CC(*)=O)c1ccc(O)c(S(=O)(=O)c2cc(CC[Si](OC)(OC)OC)ccc2O)c1 | polyester | 4 | [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) | ('', 'CO[Si](CCc1ccc(O)c(S(=O)(=O)c2cc(C3(C)CCOC(=O)C3)ccc2O)c1)(OC)OC') | [[15*]C1(C)CCOC(=O)C1] + [[16*]c1ccc(O)c(S(=O)(=O)c2cc(CC[Si](OC)(OC)OC)ccc2O)c1] -> [15*]-[*:1].[16*]-[*:2]>>[$([C&$(C(-&@C)-&@C)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [CO[Si](CCc1ccc(O)c(S(=O)(=O)c2cc(C3(C)CCOC(=O)C3)ccc2O)c1)(OC)OC] | null | {[[15*]C1(C)CCOC(=O)C1] + [[16*]c1ccc(O)c(S(=O)(=O)c2cc(CC[Si](OC)(OC)OC)ccc2O)c1] -> [15*]-[*:1].[16*]-[*:2]>>[$([C&$(C(-&@C)-&@C)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [CO[Si](CCc1ccc(O)c(S(=O)(=O)c2cc(C3(C)CCOC(=O)C3)ccc2O)c1)(OC)OC]} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OCCC(C)(CC(*)=O)c1... | {CO[Si](CCc1ccc(O)c(S(=O)(=O)c2cc(C3(C)CCOC(=O)C3)ccc2O)c1)(OC)OC} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OCCC(C)(CC(*)=O)c1ccc(O)c(S(=O)(=O)c2cc(CC[Si](OC)(OC)OC)ccc2O)c1 | 52 |
53 | O=C1CCCC(c2cc3ccccc3cc2-c2c(F)c(F)c(O)c(F)c2F)O1 | null | *OC(CCCC(*)=O)c1cc2ccccc2cc1-c1c(F)c(F)c(O)c(F)c1F | polyester | 4 | [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) | ('', 'O=C1CCCC(c2cc3ccccc3cc2-c2c(F)c(F)c(O)c(F)c2F)O1') | [[16*]c1c(F)c(F)c(O)c(F)c1F] + [[16*]c1cc2ccccc2cc1C1CCCC(=O)O1] -> [16*]-[*:1].[16*]-[*:2]>>[$([c&$(c(:c):c)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [O=C1CCCC(c2cc3ccccc3cc2-c2c(F)c(F)c(O)c(F)c2F)O1] | null | {[[16*]c1c(F)c(F)c(O)c(F)c1F] + [[16*]c1cc2ccccc2cc1C1CCCC(=O)O1] -> [16*]-[*:1].[16*]-[*:2]>>[$([c&$(c(:c):c)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [O=C1CCCC(c2cc3ccccc3cc2-c2c(F)c(F)c(O)c(F)c2F)O1]} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)c1cc2ccccc2cc1-c1c(F)c(F)c(O)c(F)c1F | {O=C1CCCC(c2cc3ccccc3cc2-c2c(F)c(F)c(O)c(F)c2F)O1} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)c1cc2ccccc2cc1-c1c(F)c(F)c(O)c(F)c1F | 53 |
54 | CC1CC(c2ccc(C3CCCC(=O)O3)c3ccccc23)CCC1N | null | *OC(CCCC(*)=O)c1ccc(C2CCC(N)C(C)C2)c2ccccc12 | polyester | 4 | [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) | ('', 'CC1CC(c2ccc(C3CCCC(=O)O3)c3ccccc23)CCC1N') | [[15*]C1CCC(N)C(C)C1] + [[16*]c1ccc(C2CCCC(=O)O2)c2ccccc12] -> [15*]-[*:1].[16*]-[*:2]>>[$([C&$(C(-&@C)-&@C)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [CC1CC(c2ccc(C3CCCC(=O)O3)c3ccccc23)CCC1N] | null | {[[15*]C1CCC(N)C(C)C1] + [[16*]c1ccc(C2CCCC(=O)O2)c2ccccc12] -> [15*]-[*:1].[16*]-[*:2]>>[$([C&$(C(-&@C)-&@C)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [CC1CC(c2ccc(C3CCCC(=O)O3)c3ccccc23)CCC1N]} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)c1ccc(C2CCC(N)C(C)C2)c2ccccc12 | {CC1CC(c2ccc(C3CCCC(=O)O3)c3ccccc23)CCC1N} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)c1ccc(C2CCC(N)C(C)C2)c2ccccc12 | 54 |
55 | C=C(C)C(=O)Sc1ccc(N)cc1C1CCCC(=O)O1 | null | *OC(CCCC(*)=O)c1cc(N)ccc1SC(=O)C(=C)C | polyester | 4 | [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) | ('', 'C=C(C)C(=O)Sc1ccc(N)cc1C1CCCC(=O)O1') | [[13*]C1CCCC(=O)O1] + [[16*]c1cc(N)ccc1SC(=O)C(=C)C] -> [13*]-[*:1].[16*]-[*:2]>>[$([C&$(C(-&@[C,N,O,S])-&@[N,O,S])]):1]-&!@[$([c&$(c(:c):c)]):2] -> [C=C(C)C(=O)Sc1ccc(N)cc1C1CCCC(=O)O1] | null | {[[13*]C1CCCC(=O)O1] + [[16*]c1cc(N)ccc1SC(=O)C(=C)C] -> [13*]-[*:1].[16*]-[*:2]>>[$([C&$(C(-&@[C,N,O,S])-&@[N,O,S])]):1]-&!@[$([c&$(c(:c):c)]):2] -> [C=C(C)C(=O)Sc1ccc(N)cc1C1CCCC(=O)O1]} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)c1cc(N)ccc1SC(=O)C(=C)C | {C=C(C)C(=O)Sc1ccc(N)cc1C1CCCC(=O)O1} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)c1cc(N)ccc1SC(=O)C(=C)C | 55 |
56 | O=C1CCCC(c2nccn2C(F)(F)F)O1 | null | *OC(CCCC(*)=O)c1nccn1C(F)(F)F | polyester | 4 | [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) | ('', 'O=C1CCCC(c2nccn2C(F)(F)F)O1') | [[13*]C1CCCC(=O)O1] + [[14*]c1nccn1C(F)(F)F] -> [13*]-[*:1].[14*]-[*:2]>>[$([C&$(C(-&@[C,N,O,S])-&@[N,O,S])]):1]-&!@[$([c&$(c(:[c,n,o,s]):[n,o,s])]):2] -> [O=C1CCCC(c2nccn2C(F)(F)F)O1] | null | {[[13*]C1CCCC(=O)O1] + [[14*]c1nccn1C(F)(F)F] -> [13*]-[*:1].[14*]-[*:2]>>[$([C&$(C(-&@[C,N,O,S])-&@[N,O,S])]):1]-&!@[$([c&$(c(:[c,n,o,s]):[n,o,s])]):2] -> [O=C1CCCC(c2nccn2C(F)(F)F)O1]} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)c1nccn1C(F)(F)F | {O=C1CCCC(c2nccn2C(F)(F)F)O1} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)c1nccn1C(F)(F)F | 56 |
57 | O=C1CCCC(c2ccc(C3COC(=O)O3)cn2)O1 | null | *OC(COC(*)=O)c1ccc(C(CCCC(*)=O)O*)nc1 | polyester | 4 | [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) | ('', 'O=C1CCCC(c2ccc(C3COC(=O)O3)cn2)O1') | [[13*]C1CCCC(=O)O1] + [[14*]c1ccc(C2COC(=O)O2)cn1] -> [13*]-[*:1].[14*]-[*:2]>>[$([C&$(C(-&@[C,N,O,S])-&@[N,O,S])]):1]-&!@[$([c&$(c(:[c,n,o,s]):[n,o,s])]):2] -> [O=C1CCCC(c2ccc(C3COC(=O)O3)cn2)O1] | null | {[[13*]C1CCCC(=O)O1] + [[14*]c1ccc(C2COC(=O)O2)cn1] -> [13*]-[*:1].[14*]-[*:2]>>[$([C&$(C(-&@[C,N,O,S])-&@[N,O,S])]):1]-&!@[$([c&$(c(:[c,n,o,s]):[n,o,s])]):2] -> [O=C1CCCC(c2ccc(C3COC(=O)O3)cn2)O1]} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(COC(*)=O)c1ccc(C(CCCC(*)=O)O*)nc1 | {O=C1CCCC(c2ccc(C3COC(=O)O3)cn2)O1} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(COC(*)=O)c1ccc(C(CCCC(*)=O)O*)nc1 | 57 |
58 | CCCCCCCCCCCCCCCCc1cc(C)c(C2CCCC(=O)O2)cc1C | null | *OC(CCCC(*)=O)c1cc(C)c(CCCCCCCCCCCCCCCC)cc1C | polyester | 4 | [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) | ('', 'CCCCCCCCCCCCCCCCc1cc(C)c(C2CCCC(=O)O2)cc1C') | [[13*]C1CCCC(=O)O1] + [[16*]c1cc(C)c(CCCCCCCCCCCCCCCC)cc1C] -> [13*]-[*:1].[16*]-[*:2]>>[$([C&$(C(-&@[C,N,O,S])-&@[N,O,S])]):1]-&!@[$([c&$(c(:c):c)]):2] -> [CCCCCCCCCCCCCCCCc1cc(C)c(C2CCCC(=O)O2)cc1C] | null | {[[13*]C1CCCC(=O)O1] + [[16*]c1cc(C)c(CCCCCCCCCCCCCCCC)cc1C] -> [13*]-[*:1].[16*]-[*:2]>>[$([C&$(C(-&@[C,N,O,S])-&@[N,O,S])]):1]-&!@[$([c&$(c(:c):c)]):2] -> [CCCCCCCCCCCCCCCCc1cc(C)c(C2CCCC(=O)O2)cc1C]} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)c1cc(C)c(CCCCCCCCCCCCCCCC)cc1C | {CCCCCCCCCCCCCCCCc1cc(C)c(C2CCCC(=O)O2)cc1C} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)c1cc(C)c(CCCCCCCCCCCCCCCC)cc1C | 58 |
59 | CCCCCCCCCCCCCCCCc1ccc(N=Nc2ccc(C3CCCC(=O)O3)cc2)cc1 | null | *OC(CCCC(*)=O)c1ccc(N=Nc2ccc(CCCCCCCCCCCCCCCC)cc2)cc1 | polyester | 4 | [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) | ('', 'CCCCCCCCCCCCCCCCc1ccc(N=Nc2ccc(C3CCCC(=O)O3)cc2)cc1') | [[8*]CCCCCCCCCCCCCCCC] + [[16*]c1ccc(N=Nc2ccc(C3CCCC(=O)O3)cc2)cc1] -> [8*]-[*:1].[16*]-[*:2]>>[$([C&!R&!D1&!$(C!-*)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [CCCCCCCCCCCCCCCCc1ccc(N=Nc2ccc(C3CCCC(=O)O3)cc2)cc1] | null | {[[8*]CCCCCCCCCCCCCCCC] + [[16*]c1ccc(N=Nc2ccc(C3CCCC(=O)O3)cc2)cc1] -> [8*]-[*:1].[16*]-[*:2]>>[$([C&!R&!D1&!$(C!-*)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [CCCCCCCCCCCCCCCCc1ccc(N=Nc2ccc(C3CCCC(=O)O3)cc2)cc1]} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)c1ccc(N=Nc2ccc(CCCCCCCCCCCCCCCC)... | {CCCCCCCCCCCCCCCCc1ccc(N=Nc2ccc(C3CCCC(=O)O3)cc2)cc1} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)c1ccc(N=Nc2ccc(CCCCCCCCCCCCCCCC)cc2)cc1 | 59 |
60 | C=Cc1cc(-c2ccco2)cc(C2CCCC(=O)O2)c1 | null | *OC(CCCC(*)=O)c1cc(C=C)cc(-c2ccco2)c1 | polyester | 4 | [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) | ('', 'C=Cc1cc(-c2ccco2)cc(C2CCCC(=O)O2)c1') | [[14*]c1ccco1] + [[16*]c1cc(C=C)cc(C2CCCC(=O)O2)c1] -> [14*]-[*:1].[16*]-[*:2]>>[$([c&$(c(:[c,n,o,s]):[n,o,s])]):1]-&!@[$([c&$(c(:c):c)]):2] -> [C=Cc1cc(-c2ccco2)cc(C2CCCC(=O)O2)c1] | null | {[[14*]c1ccco1] + [[16*]c1cc(C=C)cc(C2CCCC(=O)O2)c1] -> [14*]-[*:1].[16*]-[*:2]>>[$([c&$(c(:[c,n,o,s]):[n,o,s])]):1]-&!@[$([c&$(c(:c):c)]):2] -> [C=Cc1cc(-c2ccco2)cc(C2CCCC(=O)O2)c1]} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)c1cc(C=C)cc(-c2ccco2)c1 | {C=Cc1cc(-c2ccco2)cc(C2CCCC(=O)O2)c1} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)c1cc(C=C)cc(-c2ccco2)c1 | 60 |
61 | Cc1cccc(CC[Si](C)(C)O[Si](C)(C)CCC2CCCC(=O)O2)c1O | null | *OC(CCCC(*)=O)CC[Si](C)(C)O[Si](C)(C)CCc1cccc(C)c1O | polyester | 4 | [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) | ('', 'Cc1cccc(CC[Si](C)(C)O[Si](C)(C)CCC2CCCC(=O)O2)c1O') | [[13*]C1CCCC(=O)O1] + [[8*]CC[Si](C)(C)O[Si](C)(C)CCc1cccc(C)c1O] -> [8*]-[*:1].[13*]-[*:2]>>[$([C&!R&!D1&!$(C!-*)]):1]-&!@[$([C&$(C(-&@[C,N,O,S])-&@[N,O,S])]):2] -> [Cc1cccc(CC[Si](C)(C)O[Si](C)(C)CCC2CCCC(=O)O2)c1O] | null | {[[13*]C1CCCC(=O)O1] + [[8*]CC[Si](C)(C)O[Si](C)(C)CCc1cccc(C)c1O] -> [8*]-[*:1].[13*]-[*:2]>>[$([C&!R&!D1&!$(C!-*)]):1]-&!@[$([C&$(C(-&@[C,N,O,S])-&@[N,O,S])]):2] -> [Cc1cccc(CC[Si](C)(C)O[Si](C)(C)CCC2CCCC(=O)O2)c1O]} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)CC[Si](C)(C)O[Si](... | {Cc1cccc(CC[Si](C)(C)O[Si](C)(C)CCC2CCCC(=O)O2)c1O} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)CC[Si](C)(C)O[Si](C)(C)CCc1cccc(C)c1O | 61 |
62 | C=Cc1ccccc1-c1ccc(C2(C)CCOC(=O)C2)c(O)c1 | null | *OCCC(C)(CC(*)=O)c1ccc(-c2ccccc2C=C)cc1O | polyester | 4 | [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) | ('', 'C=Cc1ccccc1-c1ccc(C2(C)CCOC(=O)C2)c(O)c1') | [[15*]C1(C)CCOC(=O)C1] + [[16*]c1ccc(-c2ccccc2C=C)cc1O] -> [15*]-[*:1].[16*]-[*:2]>>[$([C&$(C(-&@C)-&@C)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [C=Cc1ccccc1-c1ccc(C2(C)CCOC(=O)C2)c(O)c1] | null | {[[15*]C1(C)CCOC(=O)C1] + [[16*]c1ccc(-c2ccccc2C=C)cc1O] -> [15*]-[*:1].[16*]-[*:2]>>[$([C&$(C(-&@C)-&@C)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [C=Cc1ccccc1-c1ccc(C2(C)CCOC(=O)C2)c(O)c1]} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OCCC(C)(CC(*)=O)c1ccc(-c2ccccc2C=C)cc1O | {C=Cc1ccccc1-c1ccc(C2(C)CCOC(=O)C2)c(O)c1} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OCCC(C)(CC(*)=O)c1ccc(-c2ccccc2C=C)cc1O | 62 |
63 | Cc1cc(C(=O)Cl)ccc1C1CCCC(=O)O1 | null | *OC(CCCC(*)=O)c1ccc(C(=O)Cl)cc1C | polyester | 4 | [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) | ('', 'Cc1cc(C(=O)Cl)ccc1C1CCCC(=O)O1') | [[13*]C1CCCC(=O)O1] + [[16*]c1ccc(C(=O)Cl)cc1C] -> [13*]-[*:1].[16*]-[*:2]>>[$([C&$(C(-&@[C,N,O,S])-&@[N,O,S])]):1]-&!@[$([c&$(c(:c):c)]):2] -> [Cc1cc(C(=O)Cl)ccc1C1CCCC(=O)O1] | null | {[[13*]C1CCCC(=O)O1] + [[16*]c1ccc(C(=O)Cl)cc1C] -> [13*]-[*:1].[16*]-[*:2]>>[$([C&$(C(-&@[C,N,O,S])-&@[N,O,S])]):1]-&!@[$([c&$(c(:c):c)]):2] -> [Cc1cc(C(=O)Cl)ccc1C1CCCC(=O)O1]} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)c1ccc(C(=O)Cl)cc1C | {Cc1cc(C(=O)Cl)ccc1C1CCCC(=O)O1} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)c1ccc(C(=O)Cl)cc1C | 63 |
64 | O=C1CCCC(c2cc(Br)c(-c3cccc(O)c3)c(Br)c2)O1 | null | *OC(CCCC(*)=O)c1cc(Br)c(-c2cccc(O)c2)c(Br)c1 | polyester | 4 | [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) | ('', 'O=C1CCCC(c2cc(Br)c(-c3cccc(O)c3)c(Br)c2)O1') | [[16*]c1cccc(O)c1] + [[16*]c1c(Br)cc(C2CCCC(=O)O2)cc1Br] -> [16*]-[*:1].[16*]-[*:2]>>[$([c&$(c(:c):c)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [O=C1CCCC(c2cc(Br)c(-c3cccc(O)c3)c(Br)c2)O1] | null | {[[16*]c1cccc(O)c1] + [[16*]c1c(Br)cc(C2CCCC(=O)O2)cc1Br] -> [16*]-[*:1].[16*]-[*:2]>>[$([c&$(c(:c):c)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [O=C1CCCC(c2cc(Br)c(-c3cccc(O)c3)c(Br)c2)O1]} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)c1cc(Br)c(-c2cccc(O)c2)c(Br)c1 | {O=C1CCCC(c2cc(Br)c(-c3cccc(O)c3)c(Br)c2)O1} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)c1cc(Br)c(-c2cccc(O)c2)c(Br)c1 | 64 |
65 | CCCCCCCCCCCCCCCCc1cccc(C2(C)CCOC(=O)C2)n1 | null | *OCCC(C)(CC(*)=O)c1cccc(CCCCCCCCCCCCCCCC)n1 | polyester | 4 | [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) | ('', 'CCCCCCCCCCCCCCCCc1cccc(C2(C)CCOC(=O)C2)n1') | [[15*]C1(C)CCOC(=O)C1] + [[14*]c1cccc(CCCCCCCCCCCCCCCC)n1] -> [14*]-[*:1].[15*]-[*:2]>>[$([c&$(c(:[c,n,o,s]):[n,o,s])]):1]-&!@[$([C&$(C(-&@C)-&@C)]):2] -> [CCCCCCCCCCCCCCCCc1cccc(C2(C)CCOC(=O)C2)n1] | null | {[[15*]C1(C)CCOC(=O)C1] + [[14*]c1cccc(CCCCCCCCCCCCCCCC)n1] -> [14*]-[*:1].[15*]-[*:2]>>[$([c&$(c(:[c,n,o,s]):[n,o,s])]):1]-&!@[$([C&$(C(-&@C)-&@C)]):2] -> [CCCCCCCCCCCCCCCCc1cccc(C2(C)CCOC(=O)C2)n1]} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OCCC(C)(CC(*)=O)c1cccc(CCCCCCCCCCCCCCCC)n1 | {CCCCCCCCCCCCCCCCc1cccc(C2(C)CCOC(=O)C2)n1} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OCCC(C)(CC(*)=O)c1cccc(CCCCCCCCCCCCCCCC)n1 | 65 |
66 | C=Cc1ccccc1-c1ccc(N)c(C2CCCC(=O)O2)c1 | null | *OC(CCCC(*)=O)c1cc(-c2ccccc2C=C)ccc1N | polyester | 4 | [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) | ('', 'C=Cc1ccccc1-c1ccc(N)c(C2CCCC(=O)O2)c1') | [[16*]c1ccccc1C=C] + [[16*]c1ccc(N)c(C2CCCC(=O)O2)c1] -> [16*]-[*:1].[16*]-[*:2]>>[$([c&$(c(:c):c)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [C=Cc1ccccc1-c1ccc(N)c(C2CCCC(=O)O2)c1] | null | {[[16*]c1ccccc1C=C] + [[16*]c1ccc(N)c(C2CCCC(=O)O2)c1] -> [16*]-[*:1].[16*]-[*:2]>>[$([c&$(c(:c):c)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [C=Cc1ccccc1-c1ccc(N)c(C2CCCC(=O)O2)c1]} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)c1cc(-c2ccccc2C=C)ccc1N | {C=Cc1ccccc1-c1ccc(N)c(C2CCCC(=O)O2)c1} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)c1cc(-c2ccccc2C=C)ccc1N | 66 |
67 | O=C1CCCC(c2ccc(S(=O)(=O)c3ccc(C4CCCO4)cc3)cc2)O1 | null | *OC(CCCC(*)=O)c1ccc(S(=O)(=O)c2ccc(C3CCCO3)cc2)cc1 | polyester | 4 | [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) | ('', 'O=C1CCCC(c2ccc(S(=O)(=O)c3ccc(C4CCCO4)cc3)cc2)O1') | [[13*]C1CCCC(=O)O1] + [[16*]c1ccc(S(=O)(=O)c2ccc(C3CCCO3)cc2)cc1] -> [13*]-[*:1].[16*]-[*:2]>>[$([C&$(C(-&@[C,N,O,S])-&@[N,O,S])]):1]-&!@[$([c&$(c(:c):c)]):2] -> [O=C1CCCC(c2ccc(S(=O)(=O)c3ccc(C4CCCO4)cc3)cc2)O1] | null | {[[13*]C1CCCC(=O)O1] + [[16*]c1ccc(S(=O)(=O)c2ccc(C3CCCO3)cc2)cc1] -> [13*]-[*:1].[16*]-[*:2]>>[$([C&$(C(-&@[C,N,O,S])-&@[N,O,S])]):1]-&!@[$([c&$(c(:c):c)]):2] -> [O=C1CCCC(c2ccc(S(=O)(=O)c3ccc(C4CCCO4)cc3)cc2)O1]} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)c1ccc(S(=O)(=O)c2ccc(C3... | {O=C1CCCC(c2ccc(S(=O)(=O)c3ccc(C4CCCO4)cc3)cc2)O1} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)c1ccc(S(=O)(=O)c2ccc(C3CCCO3)cc2)cc1 | 67 |
68 | CC1(c2[nH]cnc2-c2c(F)c(F)c(F)c(F)c2F)CCOC(=O)C1 | null | *OCCC(C)(CC(*)=O)c1[nH]cnc1-c1c(F)c(F)c(F)c(F)c1F | polyester | 4 | [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) | ('', 'CC1(c2[nH]cnc2-c2c(F)c(F)c(F)c(F)c2F)CCOC(=O)C1') | [[15*]C1(C)CCOC(=O)C1] + [[14*]c1[nH]cnc1-c1c(F)c(F)c(F)c(F)c1F] -> [14*]-[*:1].[15*]-[*:2]>>[$([c&$(c(:[c,n,o,s]):[n,o,s])]):1]-&!@[$([C&$(C(-&@C)-&@C)]):2] -> [CC1(c2[nH]cnc2-c2c(F)c(F)c(F)c(F)c2F)CCOC(=O)C1] | null | {[[15*]C1(C)CCOC(=O)C1] + [[14*]c1[nH]cnc1-c1c(F)c(F)c(F)c(F)c1F] -> [14*]-[*:1].[15*]-[*:2]>>[$([c&$(c(:[c,n,o,s]):[n,o,s])]):1]-&!@[$([C&$(C(-&@C)-&@C)]):2] -> [CC1(c2[nH]cnc2-c2c(F)c(F)c(F)c(F)c2F)CCOC(=O)C1]} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OCCC(C)(CC(*)=O)c1[nH]cnc1-c1c(F)c(F)c... | {CC1(c2[nH]cnc2-c2c(F)c(F)c(F)c(F)c2F)CCOC(=O)C1} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OCCC(C)(CC(*)=O)c1[nH]cnc1-c1c(F)c(F)c(F)c(F)c1F | 68 |
69 | CC(C)(Cc1cc(C2(C)CCOC(=O)C2)n[nH]1)C(=O)O | null | *OCCC(C)(CC(*)=O)c1cc(CC(C)(C)C(=O)O)[nH]n1 | polyester | 4 | [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) | ('', 'CC(C)(Cc1cc(C2(C)CCOC(=O)C2)n[nH]1)C(=O)O') | [[8*]CC(C)(C)C(=O)O] + [[14*]c1cc(C2(C)CCOC(=O)C2)n[nH]1] -> [8*]-[*:1].[14*]-[*:2]>>[$([C&!R&!D1&!$(C!-*)]):1]-&!@[$([c&$(c(:[c,n,o,s]):[n,o,s])]):2] -> [CC(C)(Cc1cc(C2(C)CCOC(=O)C2)n[nH]1)C(=O)O] | null | {[[8*]CC(C)(C)C(=O)O] + [[14*]c1cc(C2(C)CCOC(=O)C2)n[nH]1] -> [8*]-[*:1].[14*]-[*:2]>>[$([C&!R&!D1&!$(C!-*)]):1]-&!@[$([c&$(c(:[c,n,o,s]):[n,o,s])]):2] -> [CC(C)(Cc1cc(C2(C)CCOC(=O)C2)n[nH]1)C(=O)O]} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OCCC(C)(CC(*)=O)c1cc(CC(C)(C)C(=O)O)[nH]n1 | {CC(C)(Cc1cc(C2(C)CCOC(=O)C2)n[nH]1)C(=O)O} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OCCC(C)(CC(*)=O)c1cc(CC(C)(C)C(=O)O)[nH]n1 | 69 |
70 | CC1(OCNc2ccc(S(=O)(=O)Cl)cc2)CCOC(=O)C1 | null | *OCCC(C)(CC(*)=O)OCNc1ccc(S(=O)(=O)Cl)cc1 | polyester | 4 | [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) | ('', 'CC1(OCNc2ccc(S(=O)(=O)Cl)cc2)CCOC(=O)C1') | [[15*]C1(C)CCOC(=O)C1] + [[3*]OCNc1ccc(S(=O)(=O)Cl)cc1] -> [3*]-[*:1].[15*]-[*:2]>>[$([O&D2]-&!@[#0,#6,#1]):1]-&!@[$([C&$(C(-&@C)-&@C)]):2] -> [CC1(OCNc2ccc(S(=O)(=O)Cl)cc2)CCOC(=O)C1] | null | {[[15*]C1(C)CCOC(=O)C1] + [[3*]OCNc1ccc(S(=O)(=O)Cl)cc1] -> [3*]-[*:1].[15*]-[*:2]>>[$([O&D2]-&!@[#0,#6,#1]):1]-&!@[$([C&$(C(-&@C)-&@C)]):2] -> [CC1(OCNc2ccc(S(=O)(=O)Cl)cc2)CCOC(=O)C1]} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OCCC(C)(CC(*)=O)OCNc1ccc(S(=O)(=O)Cl)cc1 | {CC1(OCNc2ccc(S(=O)(=O)Cl)cc2)CCOC(=O)C1} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OCCC(C)(CC(*)=O)OCNc1ccc(S(=O)(=O)Cl)cc1 | 70 |
71 | CC1(c2ccnc(-c3cccc(B(O)O)c3)c2)CCOC(=O)C1 | null | *OCCC(C)(CC(*)=O)c1ccnc(-c2cccc(B(O)O)c2)c1 | polyester | 4 | [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) | ('', 'CC1(c2ccnc(-c3cccc(B(O)O)c3)c2)CCOC(=O)C1') | [[15*]C1(C)CCOC(=O)C1] + [[16*]c1ccnc(-c2cccc(B(O)O)c2)c1] -> [15*]-[*:1].[16*]-[*:2]>>[$([C&$(C(-&@C)-&@C)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [CC1(c2ccnc(-c3cccc(B(O)O)c3)c2)CCOC(=O)C1] | null | {[[15*]C1(C)CCOC(=O)C1] + [[16*]c1ccnc(-c2cccc(B(O)O)c2)c1] -> [15*]-[*:1].[16*]-[*:2]>>[$([C&$(C(-&@C)-&@C)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [CC1(c2ccnc(-c3cccc(B(O)O)c3)c2)CCOC(=O)C1]} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OCCC(C)(CC(*)=O)c1ccnc(-c2cccc(B(O)O)c2)c1 | {CC1(c2ccnc(-c3cccc(B(O)O)c3)c2)CCOC(=O)C1} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OCCC(C)(CC(*)=O)c1ccnc(-c2cccc(B(O)O)c2)c1 | 71 |
72 | NC1CCC(c2ccncc2C2CCCC(=O)O2)CC1 | null | *OC(CCCC(*)=O)c1cnccc1C1CCC(N)CC1 | polyester | 4 | [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) | ('', 'NC1CCC(c2ccncc2C2CCCC(=O)O2)CC1') | [[13*]C1CCCC(=O)O1] + [[16*]c1cnccc1C1CCC(N)CC1] -> [13*]-[*:1].[16*]-[*:2]>>[$([C&$(C(-&@[C,N,O,S])-&@[N,O,S])]):1]-&!@[$([c&$(c(:c):c)]):2] -> [NC1CCC(c2ccncc2C2CCCC(=O)O2)CC1] | null | {[[13*]C1CCCC(=O)O1] + [[16*]c1cnccc1C1CCC(N)CC1] -> [13*]-[*:1].[16*]-[*:2]>>[$([C&$(C(-&@[C,N,O,S])-&@[N,O,S])]):1]-&!@[$([c&$(c(:c):c)]):2] -> [NC1CCC(c2ccncc2C2CCCC(=O)O2)CC1]} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)c1cnccc1C1CCC(N)CC1 | {NC1CCC(c2ccncc2C2CCCC(=O)O2)CC1} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)c1cnccc1C1CCC(N)CC1 | 72 |
73 | Cc1ccc(-c2ccc(C3CCCC(=O)O3)c([N+](=O)[O-])c2)cc1 | null | *OC(CCCC(*)=O)c1ccc(-c2ccc(C)cc2)cc1[N+](=O)[O-] | polyester | 4 | [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) | ('', 'Cc1ccc(-c2ccc(C3CCCC(=O)O3)c([N+](=O)[O-])c2)cc1') | [[16*]c1ccc(C)cc1] + [[16*]c1ccc(C2CCCC(=O)O2)c([N+](=O)[O-])c1] -> [16*]-[*:1].[16*]-[*:2]>>[$([c&$(c(:c):c)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [Cc1ccc(-c2ccc(C3CCCC(=O)O3)c([N+](=O)[O-])c2)cc1] | null | {[[16*]c1ccc(C)cc1] + [[16*]c1ccc(C2CCCC(=O)O2)c([N+](=O)[O-])c1] -> [16*]-[*:1].[16*]-[*:2]>>[$([c&$(c(:c):c)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [Cc1ccc(-c2ccc(C3CCCC(=O)O3)c([N+](=O)[O-])c2)cc1]} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)c1ccc(-c2ccc(C)cc2)cc1[N+](=O)[O-] | {Cc1ccc(-c2ccc(C3CCCC(=O)O3)c([N+](=O)[O-])c2)cc1} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)c1ccc(-c2ccc(C)cc2)cc1[N+](=O)[O-] | 73 |
74 | O=C1CCCC(c2cccc(-c3cccc4ccccc34)c2)O1 | null | *OC(CCCC(*)=O)c1cccc(-c2cccc3ccccc23)c1 | polyester | 4 | [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) | ('', 'O=C1CCCC(c2cccc(-c3cccc4ccccc34)c2)O1') | [[16*]c1cccc2ccccc12] + [[16*]c1cccc(C2CCCC(=O)O2)c1] -> [16*]-[*:1].[16*]-[*:2]>>[$([c&$(c(:c):c)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [O=C1CCCC(c2cccc(-c3cccc4ccccc34)c2)O1] | null | {[[16*]c1cccc2ccccc12] + [[16*]c1cccc(C2CCCC(=O)O2)c1] -> [16*]-[*:1].[16*]-[*:2]>>[$([c&$(c(:c):c)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [O=C1CCCC(c2cccc(-c3cccc4ccccc34)c2)O1]} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)c1cccc(-c2cccc3ccccc23)c1 | {O=C1CCCC(c2cccc(-c3cccc4ccccc34)c2)O1} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)c1cccc(-c2cccc3ccccc23)c1 | 74 |
75 | CO[Si](C)(COc1ccc(C2(C)CCOC(=O)C2)c(C)c1)OC | null | *OCCC(C)(CC(*)=O)c1ccc(OC[Si](C)(OC)OC)cc1C | polyester | 4 | [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) | ('', 'CO[Si](C)(COc1ccc(C2(C)CCOC(=O)C2)c(C)c1)OC') | [[3*]OC[Si](C)(OC)OC] + [[16*]c1ccc(C2(C)CCOC(=O)C2)c(C)c1] -> [3*]-[*:1].[16*]-[*:2]>>[$([O&D2]-&!@[#0,#6,#1]):1]-&!@[$([c&$(c(:c):c)]):2] -> [CO[Si](C)(COc1ccc(C2(C)CCOC(=O)C2)c(C)c1)OC] | null | {[[3*]OC[Si](C)(OC)OC] + [[16*]c1ccc(C2(C)CCOC(=O)C2)c(C)c1] -> [3*]-[*:1].[16*]-[*:2]>>[$([O&D2]-&!@[#0,#6,#1]):1]-&!@[$([c&$(c(:c):c)]):2] -> [CO[Si](C)(COc1ccc(C2(C)CCOC(=O)C2)c(C)c1)OC]} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OCCC(C)(CC(*)=O)c1ccc(OC[Si](C)(OC)OC)cc1C | {CO[Si](C)(COc1ccc(C2(C)CCOC(=O)C2)c(C)c1)OC} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OCCC(C)(CC(*)=O)c1ccc(OC[Si](C)(OC)OC)cc1C | 75 |
76 | CC1(c2cc(Br)c(-c3c(Br)cc(Br)cc3Br)c(Br)c2)CCOC(=O)C1 | null | *OCCC(C)(CC(*)=O)c1cc(Br)c(-c2c(Br)cc(Br)cc2Br)c(Br)c1 | polyester | 4 | [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) | ('', 'CC1(c2cc(Br)c(-c3c(Br)cc(Br)cc3Br)c(Br)c2)CCOC(=O)C1') | [[16*]c1c(Br)cc(Br)cc1Br] + [[16*]c1c(Br)cc(C2(C)CCOC(=O)C2)cc1Br] -> [16*]-[*:1].[16*]-[*:2]>>[$([c&$(c(:c):c)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [CC1(c2cc(Br)c(-c3c(Br)cc(Br)cc3Br)c(Br)c2)CCOC(=O)C1] | null | {[[16*]c1c(Br)cc(Br)cc1Br] + [[16*]c1c(Br)cc(C2(C)CCOC(=O)C2)cc1Br] -> [16*]-[*:1].[16*]-[*:2]>>[$([c&$(c(:c):c)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [CC1(c2cc(Br)c(-c3c(Br)cc(Br)cc3Br)c(Br)c2)CCOC(=O)C1]} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OCCC(C)(CC(*)=O)c1cc(Br)c(-c2c(Br)cc(Br)cc2Br)c(B... | {CC1(c2cc(Br)c(-c3c(Br)cc(Br)cc3Br)c(Br)c2)CCOC(=O)C1} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OCCC(C)(CC(*)=O)c1cc(Br)c(-c2c(Br)cc(Br)cc2Br)c(Br)c1 | 76 |
77 | CCCCCc1cc(C)c(C)cc1C1CCCC(=O)O1 | null | *OC(CCCC(*)=O)c1cc(C)c(C)cc1CCCCC | polyester | 4 | [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) | ('', 'CCCCCc1cc(C)c(C)cc1C1CCCC(=O)O1') | [[13*]C1CCCC(=O)O1] + [[16*]c1cc(C)c(C)cc1CCCCC] -> [13*]-[*:1].[16*]-[*:2]>>[$([C&$(C(-&@[C,N,O,S])-&@[N,O,S])]):1]-&!@[$([c&$(c(:c):c)]):2] -> [CCCCCc1cc(C)c(C)cc1C1CCCC(=O)O1] | null | {[[13*]C1CCCC(=O)O1] + [[16*]c1cc(C)c(C)cc1CCCCC] -> [13*]-[*:1].[16*]-[*:2]>>[$([C&$(C(-&@[C,N,O,S])-&@[N,O,S])]):1]-&!@[$([c&$(c(:c):c)]):2] -> [CCCCCc1cc(C)c(C)cc1C1CCCC(=O)O1]} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)c1cc(C)c(C)cc1CCCCC | {CCCCCc1cc(C)c(C)cc1C1CCCC(=O)O1} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)c1cc(C)c(C)cc1CCCCC | 77 |
78 | Nc1ccc(C2CCCC(=O)O2)cc1C1CO1 | null | *OC(CCCC(*)=O)c1ccc(N)c(C2CO2)c1 | polyester | 4 | [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) | ('', 'Nc1ccc(C2CCCC(=O)O2)cc1C1CO1') | [[13*]C1CCCC(=O)O1] + [[16*]c1ccc(N)c(C2CO2)c1] -> [13*]-[*:1].[16*]-[*:2]>>[$([C&$(C(-&@[C,N,O,S])-&@[N,O,S])]):1]-&!@[$([c&$(c(:c):c)]):2] -> [Nc1ccc(C2CCCC(=O)O2)cc1C1CO1] | null | {[[13*]C1CCCC(=O)O1] + [[16*]c1ccc(N)c(C2CO2)c1] -> [13*]-[*:1].[16*]-[*:2]>>[$([C&$(C(-&@[C,N,O,S])-&@[N,O,S])]):1]-&!@[$([c&$(c(:c):c)]):2] -> [Nc1ccc(C2CCCC(=O)O2)cc1C1CO1]} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)c1ccc(N)c(C2CO2)c1 | {Nc1ccc(C2CCCC(=O)O2)cc1C1CO1} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)c1ccc(N)c(C2CO2)c1 | 78 |
79 | CC1(OP(=O)([O-])Oc2cccc3[nH]c4ccccc4c23)CCOC(=O)C1 | null | *OCCC(C)(CC(*)=O)OP(=O)([O-])Oc1cccc2[nH]c3ccccc3c12 | polyester | 4 | [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) | ('', 'CC1(OP(=O)([O-])Oc2cccc3[nH]c4ccccc4c23)CCOC(=O)C1') | [[16*]c1cccc2[nH]c3ccccc3c12] + [[3*]OP(=O)([O-])OC1(C)CCOC(=O)C1] -> [3*]-[*:1].[16*]-[*:2]>>[$([O&D2]-&!@[#0,#6,#1]):1]-&!@[$([c&$(c(:c):c)]):2] -> [CC1(OP(=O)([O-])Oc2cccc3[nH]c4ccccc4c23)CCOC(=O)C1] | null | {[[16*]c1cccc2[nH]c3ccccc3c12] + [[3*]OP(=O)([O-])OC1(C)CCOC(=O)C1] -> [3*]-[*:1].[16*]-[*:2]>>[$([O&D2]-&!@[#0,#6,#1]):1]-&!@[$([c&$(c(:c):c)]):2] -> [CC1(OP(=O)([O-])Oc2cccc3[nH]c4ccccc4c23)CCOC(=O)C1]} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OCCC(C)(CC(*)=O)OP(=O)([O-])Oc1cccc2[nH]c3cccc... | {CC1(OP(=O)([O-])Oc2cccc3[nH]c4ccccc4c23)CCOC(=O)C1} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OCCC(C)(CC(*)=O)OP(=O)([O-])Oc1cccc2[nH]c3ccccc3c12 | 79 |
80 | CC1(c2cnccc2C2(C)CCOC(=O)C2)CCCC1 | null | *OCCC(C)(CC(*)=O)c1ccncc1C1(C)CCCC1 | polyester | 4 | [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) | ('', 'CC1(c2cnccc2C2(C)CCOC(=O)C2)CCCC1') | [[15*]C1(C)CCCC1] + [[16*]c1cnccc1C1(C)CCOC(=O)C1] -> [15*]-[*:1].[16*]-[*:2]>>[$([C&$(C(-&@C)-&@C)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [CC1(c2cnccc2C2(C)CCOC(=O)C2)CCCC1] | null | {[[15*]C1(C)CCCC1] + [[16*]c1cnccc1C1(C)CCOC(=O)C1] -> [15*]-[*:1].[16*]-[*:2]>>[$([C&$(C(-&@C)-&@C)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [CC1(c2cnccc2C2(C)CCOC(=O)C2)CCCC1]} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OCCC(C)(CC(*)=O)c1ccncc1C1(C)CCCC1 | {CC1(c2cnccc2C2(C)CCOC(=O)C2)CCCC1} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OCCC(C)(CC(*)=O)c1ccncc1C1(C)CCCC1 | 80 |
81 | CC(C)(CO)c1c2ccccc2c(C2CCCC(=O)O2)c2ccccc12 | null | *OC(CCCC(*)=O)c1c2ccccc2c(C(C)(C)CO)c2ccccc12 | polyester | 4 | [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) | ('', 'CC(C)(CO)c1c2ccccc2c(C2CCCC(=O)O2)c2ccccc12') | [[8*]C(C)(C)CO] + [[16*]c1c2ccccc2c(C2CCCC(=O)O2)c2ccccc12] -> [8*]-[*:1].[16*]-[*:2]>>[$([C&!R&!D1&!$(C!-*)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [CC(C)(CO)c1c2ccccc2c(C2CCCC(=O)O2)c2ccccc12] | null | {[[8*]C(C)(C)CO] + [[16*]c1c2ccccc2c(C2CCCC(=O)O2)c2ccccc12] -> [8*]-[*:1].[16*]-[*:2]>>[$([C&!R&!D1&!$(C!-*)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [CC(C)(CO)c1c2ccccc2c(C2CCCC(=O)O2)c2ccccc12]} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)c1c2ccccc2c(C(C)(C)CO)c2ccccc12 | {CC(C)(CO)c1c2ccccc2c(C2CCCC(=O)O2)c2ccccc12} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)c1c2ccccc2c(C(C)(C)CO)c2ccccc12 | 81 |
82 | C=Cc1ccc(CC2CCCC(=O)O2)cc1 | null | *OC(CCCC(*)=O)Cc1ccc(C=C)cc1 | polyester | 4 | [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) | ('', 'C=Cc1ccc(CC2CCCC(=O)O2)cc1') | [[16*]c1ccc(C=C)cc1] + [[8*]CC1CCCC(=O)O1] -> [8*]-[*:1].[16*]-[*:2]>>[$([C&!R&!D1&!$(C!-*)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [C=Cc1ccc(CC2CCCC(=O)O2)cc1] | null | {[[16*]c1ccc(C=C)cc1] + [[8*]CC1CCCC(=O)O1] -> [8*]-[*:1].[16*]-[*:2]>>[$([C&!R&!D1&!$(C!-*)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [C=Cc1ccc(CC2CCCC(=O)O2)cc1]} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)Cc1ccc(C=C)cc1 | {C=Cc1ccc(CC2CCCC(=O)O2)cc1} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)Cc1ccc(C=C)cc1 | 82 |
83 | O=C1CCCC(c2cncc(-c3c(F)c(F)c(Br)c(F)c3F)c2)O1 | null | *OC(CCCC(*)=O)c1cncc(-c2c(F)c(F)c(Br)c(F)c2F)c1 | polyester | 4 | [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) | ('', 'O=C1CCCC(c2cncc(-c3c(F)c(F)c(Br)c(F)c3F)c2)O1') | [[13*]C1CCCC(=O)O1] + [[16*]c1cncc(-c2c(F)c(F)c(Br)c(F)c2F)c1] -> [13*]-[*:1].[16*]-[*:2]>>[$([C&$(C(-&@[C,N,O,S])-&@[N,O,S])]):1]-&!@[$([c&$(c(:c):c)]):2] -> [O=C1CCCC(c2cncc(-c3c(F)c(F)c(Br)c(F)c3F)c2)O1] | null | {[[13*]C1CCCC(=O)O1] + [[16*]c1cncc(-c2c(F)c(F)c(Br)c(F)c2F)c1] -> [13*]-[*:1].[16*]-[*:2]>>[$([C&$(C(-&@[C,N,O,S])-&@[N,O,S])]):1]-&!@[$([c&$(c(:c):c)]):2] -> [O=C1CCCC(c2cncc(-c3c(F)c(F)c(Br)c(F)c3F)c2)O1]} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)c1cncc(-c2c(F)c(F)c(Br)c(F)c2... | {O=C1CCCC(c2cncc(-c3c(F)c(F)c(Br)c(F)c3F)c2)O1} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)c1cncc(-c2c(F)c(F)c(Br)c(F)c2F)c1 | 83 |
84 | CC1(c2cc(OC(F)(F)F)ccn2)CCOC(=O)C1 | null | *OCCC(C)(CC(*)=O)c1cc(OC(F)(F)F)ccn1 | polyester | 4 | [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) | ('', 'CC1(c2cc(OC(F)(F)F)ccn2)CCOC(=O)C1') | [[3*]OC(F)(F)F] + [[16*]c1ccnc(C2(C)CCOC(=O)C2)c1] -> [3*]-[*:1].[16*]-[*:2]>>[$([O&D2]-&!@[#0,#6,#1]):1]-&!@[$([c&$(c(:c):c)]):2] -> [CC1(c2cc(OC(F)(F)F)ccn2)CCOC(=O)C1] | null | {[[3*]OC(F)(F)F] + [[16*]c1ccnc(C2(C)CCOC(=O)C2)c1] -> [3*]-[*:1].[16*]-[*:2]>>[$([O&D2]-&!@[#0,#6,#1]):1]-&!@[$([c&$(c(:c):c)]):2] -> [CC1(c2cc(OC(F)(F)F)ccn2)CCOC(=O)C1]} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OCCC(C)(CC(*)=O)c1cc(OC(F)(F)F)ccn1 | {CC1(c2cc(OC(F)(F)F)ccn2)CCOC(=O)C1} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OCCC(C)(CC(*)=O)c1cc(OC(F)(F)F)ccn1 | 84 |
85 | CC1(c2nc[nH]c2-c2c(Cl)cc(Cl)cc2Cl)CCOC(=O)C1 | null | *OCCC(C)(CC(*)=O)c1nc[nH]c1-c1c(Cl)cc(Cl)cc1Cl | polyester | 4 | [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) | ('', 'CC1(c2nc[nH]c2-c2c(Cl)cc(Cl)cc2Cl)CCOC(=O)C1') | [[15*]C1(C)CCOC(=O)C1] + [[14*]c1nc[nH]c1-c1c(Cl)cc(Cl)cc1Cl] -> [14*]-[*:1].[15*]-[*:2]>>[$([c&$(c(:[c,n,o,s]):[n,o,s])]):1]-&!@[$([C&$(C(-&@C)-&@C)]):2] -> [CC1(c2nc[nH]c2-c2c(Cl)cc(Cl)cc2Cl)CCOC(=O)C1] | null | {[[15*]C1(C)CCOC(=O)C1] + [[14*]c1nc[nH]c1-c1c(Cl)cc(Cl)cc1Cl] -> [14*]-[*:1].[15*]-[*:2]>>[$([c&$(c(:[c,n,o,s]):[n,o,s])]):1]-&!@[$([C&$(C(-&@C)-&@C)]):2] -> [CC1(c2nc[nH]c2-c2c(Cl)cc(Cl)cc2Cl)CCOC(=O)C1]} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OCCC(C)(CC(*)=O)c1nc[nH]c1-c1c(Cl)cc(Cl)cc1C... | {CC1(c2nc[nH]c2-c2c(Cl)cc(Cl)cc2Cl)CCOC(=O)C1} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OCCC(C)(CC(*)=O)c1nc[nH]c1-c1c(Cl)cc(Cl)cc1Cl | 85 |
86 | Cc1cc(C2(C3CCCC(=O)O3)CCC2)ccc1N | null | *OC(CCCC(*)=O)C1(c2ccc(N)c(C)c2)CCC1 | polyester | 4 | [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) | ('', 'Cc1cc(C2(C3CCCC(=O)O3)CCC2)ccc1N') | [[16*]c1ccc(N)c(C)c1] + [[15*]C1(C2CCCC(=O)O2)CCC1] -> [15*]-[*:1].[16*]-[*:2]>>[$([C&$(C(-&@C)-&@C)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [Cc1cc(C2(C3CCCC(=O)O3)CCC2)ccc1N] | null | {[[16*]c1ccc(N)c(C)c1] + [[15*]C1(C2CCCC(=O)O2)CCC1] -> [15*]-[*:1].[16*]-[*:2]>>[$([C&$(C(-&@C)-&@C)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [Cc1cc(C2(C3CCCC(=O)O3)CCC2)ccc1N]} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)C1(c2ccc(N)c(C)c2)CCC1 | {Cc1cc(C2(C3CCCC(=O)O3)CCC2)ccc1N} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)C1(c2ccc(N)c(C)c2)CCC1 | 86 |
87 | Cc1ccc(O)c(-c2cccc3cc4cccc(C5CCCC(=O)O5)c4cc23)c1 | null | *OC(CCCC(*)=O)c1cccc2cc3cccc(-c4cc(C)ccc4O)c3cc12 | polyester | 4 | [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) | ('', 'Cc1ccc(O)c(-c2cccc3cc4cccc(C5CCCC(=O)O5)c4cc23)c1') | [[16*]c1cc(C)ccc1O] + [[16*]c1cccc2cc3cccc(C4CCCC(=O)O4)c3cc12] -> [16*]-[*:1].[16*]-[*:2]>>[$([c&$(c(:c):c)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [Cc1ccc(O)c(-c2cccc3cc4cccc(C5CCCC(=O)O5)c4cc23)c1] | null | {[[16*]c1cc(C)ccc1O] + [[16*]c1cccc2cc3cccc(C4CCCC(=O)O4)c3cc12] -> [16*]-[*:1].[16*]-[*:2]>>[$([c&$(c(:c):c)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [Cc1ccc(O)c(-c2cccc3cc4cccc(C5CCCC(=O)O5)c4cc23)c1]} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)c1cccc2cc3cccc(-c4cc(C)ccc4O)c3cc12 | {Cc1ccc(O)c(-c2cccc3cc4cccc(C5CCCC(=O)O5)c4cc23)c1} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)c1cccc2cc3cccc(-c4cc(C)ccc4O)c3cc12 | 87 |
88 | CC1(c2cccc(N=Nc3cccc(CCC(=O)O)c3)c2)CCOC(=O)C1 | null | *OCCC(C)(CC(*)=O)c1cccc(N=Nc2cccc(CCC(=O)O)c2)c1 | polyester | 4 | [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) | ('', 'CC1(c2cccc(N=Nc3cccc(CCC(=O)O)c3)c2)CCOC(=O)C1') | [[8*]CCC(=O)O] + [[16*]c1cccc(N=Nc2cccc(C3(C)CCOC(=O)C3)c2)c1] -> [8*]-[*:1].[16*]-[*:2]>>[$([C&!R&!D1&!$(C!-*)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [CC1(c2cccc(N=Nc3cccc(CCC(=O)O)c3)c2)CCOC(=O)C1] | null | {[[8*]CCC(=O)O] + [[16*]c1cccc(N=Nc2cccc(C3(C)CCOC(=O)C3)c2)c1] -> [8*]-[*:1].[16*]-[*:2]>>[$([C&!R&!D1&!$(C!-*)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [CC1(c2cccc(N=Nc3cccc(CCC(=O)O)c3)c2)CCOC(=O)C1]} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OCCC(C)(CC(*)=O)c1cccc(N=Nc2cccc(CCC(=O)O)c2)c1 | {CC1(c2cccc(N=Nc3cccc(CCC(=O)O)c3)c2)CCOC(=O)C1} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OCCC(C)(CC(*)=O)c1cccc(N=Nc2cccc(CCC(=O)O)c2)c1 | 88 |
89 | CC1(CC[Si](C)(C)O[Si](C)(C)CCc2ccc(O)c(N)c2)CCOC(=O)C1 | null | *OCCC(C)(CC[Si](C)(C)O[Si](C)(C)CCc1ccc(O)c(N)c1)CC(*)=O | polyester | 4 | [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) | ('', 'CC1(CC[Si](C)(C)O[Si](C)(C)CCc2ccc(O)c(N)c2)CCOC(=O)C1') | [[15*]C1(C)CCOC(=O)C1] + [[8*]CC[Si](C)(C)O[Si](C)(C)CCc1ccc(O)c(N)c1] -> [8*]-[*:1].[15*]-[*:2]>>[$([C&!R&!D1&!$(C!-*)]):1]-&!@[$([C&$(C(-&@C)-&@C)]):2] -> [CC1(CC[Si](C)(C)O[Si](C)(C)CCc2ccc(O)c(N)c2)CCOC(=O)C1] | null | {[[15*]C1(C)CCOC(=O)C1] + [[8*]CC[Si](C)(C)O[Si](C)(C)CCc1ccc(O)c(N)c1] -> [8*]-[*:1].[15*]-[*:2]>>[$([C&!R&!D1&!$(C!-*)]):1]-&!@[$([C&$(C(-&@C)-&@C)]):2] -> [CC1(CC[Si](C)(C)O[Si](C)(C)CCc2ccc(O)c(N)c2)CCOC(=O)C1]} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OCCC(C)(CC[Si](C)(C)O[Si](C)(C)CCc1... | {CC1(CC[Si](C)(C)O[Si](C)(C)CCc2ccc(O)c(N)c2)CCOC(=O)C1} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OCCC(C)(CC[Si](C)(C)O[Si](C)(C)CCc1ccc(O)c(N)c1)CC(*)=O | 89 |
90 | N#Cc1ccc(C2(C3CCCC(=O)O3)CCC2)cc1 | null | *OC(CCCC(*)=O)C1(c2ccc(C#N)cc2)CCC1 | polyester | 4 | [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) | ('', 'N#Cc1ccc(C2(C3CCCC(=O)O3)CCC2)cc1') | [[16*]c1ccc(C#N)cc1] + [[15*]C1(C2CCCC(=O)O2)CCC1] -> [15*]-[*:1].[16*]-[*:2]>>[$([C&$(C(-&@C)-&@C)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [N#Cc1ccc(C2(C3CCCC(=O)O3)CCC2)cc1] | null | {[[16*]c1ccc(C#N)cc1] + [[15*]C1(C2CCCC(=O)O2)CCC1] -> [15*]-[*:1].[16*]-[*:2]>>[$([C&$(C(-&@C)-&@C)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [N#Cc1ccc(C2(C3CCCC(=O)O3)CCC2)cc1]} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)C1(c2ccc(C#N)cc2)CCC1 | {N#Cc1ccc(C2(C3CCCC(=O)O3)CCC2)cc1} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)C1(c2ccc(C#N)cc2)CCC1 | 90 |
91 | CC1(c2c(Br)cc(S(=O)(=O)c3cc(Br)c(C(=O)Cl)c(Br)c3)cc2Br)CCOC(=O)C1 | null | *OCCC(C)(CC(*)=O)c1c(Br)cc(S(=O)(=O)c2cc(Br)c(C(=O)Cl)c(Br)c2)cc1Br | polyester | 4 | [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) | ('', 'CC1(c2c(Br)cc(S(=O)(=O)c3cc(Br)c(C(=O)Cl)c(Br)c3)cc2Br)CCOC(=O)C1') | [[15*]C1(C)CCOC(=O)C1] + [[16*]c1c(Br)cc(S(=O)(=O)c2cc(Br)c(C(=O)Cl)c(Br)c2)cc1Br] -> [15*]-[*:1].[16*]-[*:2]>>[$([C&$(C(-&@C)-&@C)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [CC1(c2c(Br)cc(S(=O)(=O)c3cc(Br)c(C(=O)Cl)c(Br)c3)cc2Br)CCOC(=O)C1] | null | {[[15*]C1(C)CCOC(=O)C1] + [[16*]c1c(Br)cc(S(=O)(=O)c2cc(Br)c(C(=O)Cl)c(Br)c2)cc1Br] -> [15*]-[*:1].[16*]-[*:2]>>[$([C&$(C(-&@C)-&@C)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [CC1(c2c(Br)cc(S(=O)(=O)c3cc(Br)c(C(=O)Cl)c(Br)c3)cc2Br)CCOC(=O)C1]} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OCCC(C)(CC(*)=O)... | {CC1(c2c(Br)cc(S(=O)(=O)c3cc(Br)c(C(=O)Cl)c(Br)c3)cc2Br)CCOC(=O)C1} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OCCC(C)(CC(*)=O)c1c(Br)cc(S(=O)(=O)c2cc(Br)c(C(=O)Cl)c(Br)c2)cc1Br | 91 |
92 | O=C1CCCC(c2c(F)c(F)c(-c3ccccc3O)c(F)c2F)O1 | null | *OC(CCCC(*)=O)c1c(F)c(F)c(-c2ccccc2O)c(F)c1F | polyester | 4 | [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) | ('', 'O=C1CCCC(c2c(F)c(F)c(-c3ccccc3O)c(F)c2F)O1') | [[16*]c1ccccc1O] + [[16*]c1c(F)c(F)c(C2CCCC(=O)O2)c(F)c1F] -> [16*]-[*:1].[16*]-[*:2]>>[$([c&$(c(:c):c)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [O=C1CCCC(c2c(F)c(F)c(-c3ccccc3O)c(F)c2F)O1] | null | {[[16*]c1ccccc1O] + [[16*]c1c(F)c(F)c(C2CCCC(=O)O2)c(F)c1F] -> [16*]-[*:1].[16*]-[*:2]>>[$([c&$(c(:c):c)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [O=C1CCCC(c2c(F)c(F)c(-c3ccccc3O)c(F)c2F)O1]} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)c1c(F)c(F)c(-c2ccccc2O)c(F)c1F | {O=C1CCCC(c2c(F)c(F)c(-c3ccccc3O)c(F)c2F)O1} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)c1c(F)c(F)c(-c2ccccc2O)c(F)c1F | 92 |
93 | C=COc1ccc(N=Nc2ccc(C3CCCC(=O)O3)cc2)cc1 | null | *OC(CCCC(*)=O)c1ccc(N=Nc2ccc(OC=C)cc2)cc1 | polyester | 4 | [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) | ('', 'C=COc1ccc(N=Nc2ccc(C3CCCC(=O)O3)cc2)cc1') | [[3*]OC=C] + [[16*]c1ccc(N=Nc2ccc(C3CCCC(=O)O3)cc2)cc1] -> [3*]-[*:1].[16*]-[*:2]>>[$([O&D2]-&!@[#0,#6,#1]):1]-&!@[$([c&$(c(:c):c)]):2] -> [C=COc1ccc(N=Nc2ccc(C3CCCC(=O)O3)cc2)cc1] | null | {[[3*]OC=C] + [[16*]c1ccc(N=Nc2ccc(C3CCCC(=O)O3)cc2)cc1] -> [3*]-[*:1].[16*]-[*:2]>>[$([O&D2]-&!@[#0,#6,#1]):1]-&!@[$([c&$(c(:c):c)]):2] -> [C=COc1ccc(N=Nc2ccc(C3CCCC(=O)O3)cc2)cc1]} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)c1ccc(N=Nc2ccc(OC=C)cc2)cc1 | {C=COc1ccc(N=Nc2ccc(C3CCCC(=O)O3)cc2)cc1} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)c1ccc(N=Nc2ccc(OC=C)cc2)cc1 | 93 |
94 | O=C1CCCC(c2ccccc2C2CO2)O1 | null | *OC(CCCC(*)=O)c1ccccc1C1CO1 | polyester | 4 | [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) | ('', 'O=C1CCCC(c2ccccc2C2CO2)O1') | [[13*]C1CCCC(=O)O1] + [[16*]c1ccccc1C1CO1] -> [13*]-[*:1].[16*]-[*:2]>>[$([C&$(C(-&@[C,N,O,S])-&@[N,O,S])]):1]-&!@[$([c&$(c(:c):c)]):2] -> [O=C1CCCC(c2ccccc2C2CO2)O1] | null | {[[13*]C1CCCC(=O)O1] + [[16*]c1ccccc1C1CO1] -> [13*]-[*:1].[16*]-[*:2]>>[$([C&$(C(-&@[C,N,O,S])-&@[N,O,S])]):1]-&!@[$([c&$(c(:c):c)]):2] -> [O=C1CCCC(c2ccccc2C2CO2)O1]} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)c1ccccc1C1CO1 | {O=C1CCCC(c2ccccc2C2CO2)O1} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)c1ccccc1C1CO1 | 94 |
95 | C[Si](C)(CCc1cccc(O)c1)O[Si](C)(C)CCC1CCCC(=O)O1 | null | *OC(CCCC(*)=O)CC[Si](C)(C)O[Si](C)(C)CCc1cccc(O)c1 | polyester | 4 | [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) | ('', 'C[Si](C)(CCc1cccc(O)c1)O[Si](C)(C)CCC1CCCC(=O)O1') | [[16*]c1cccc(O)c1] + [[8*]CC[Si](C)(C)O[Si](C)(C)CCC1CCCC(=O)O1] -> [8*]-[*:1].[16*]-[*:2]>>[$([C&!R&!D1&!$(C!-*)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [C[Si](C)(CCc1cccc(O)c1)O[Si](C)(C)CCC1CCCC(=O)O1] | null | {[[16*]c1cccc(O)c1] + [[8*]CC[Si](C)(C)O[Si](C)(C)CCC1CCCC(=O)O1] -> [8*]-[*:1].[16*]-[*:2]>>[$([C&!R&!D1&!$(C!-*)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [C[Si](C)(CCc1cccc(O)c1)O[Si](C)(C)CCC1CCCC(=O)O1]} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)CC[Si](C)(C)O[Si](C)(C)CCc1cccc(O)c1 | {C[Si](C)(CCc1cccc(O)c1)O[Si](C)(C)CCC1CCCC(=O)O1} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)CC[Si](C)(C)O[Si](C)(C)CCc1cccc(O)c1 | 95 |
96 | O=C1CCCC(c2cc(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n[nH]2)O1 | null | *OC(CCCC(*)=O)c1cc(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n[nH]1 | polyester | 4 | [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) | ('', 'O=C1CCCC(c2cc(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n[nH]2)O1') | [[13*]C1CCCC(=O)O1] + [[14*]c1cc(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n[nH]1] -> [13*]-[*:1].[14*]-[*:2]>>[$([C&$(C(-&@[C,N,O,S])-&@[N,O,S])]):1]-&!@[$([c&$(c(:[c,n,o,s]):[n,o,s])]):2] -> [O=C1CCCC(c2cc(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n[nH]2)O1] | null | {[[13*]C1CCCC(=O)O1] + [[14*]c1cc(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n[nH]1] -> [13*]-[*:1].[14*]-[*:2]>>[$([C&$(C(-&@[C,N,O,S])-&@[N,O,S])]):1]-&!@[$([c&$(c(:[c,n,o,s]):[n,o,s])]):2] -> [O=C1CCCC(c2cc(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n[nH]2)O1]} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)... | {O=C1CCCC(c2cc(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n[nH]2)O1} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)c1cc(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n[nH]1 | 96 |
97 | CC1(c2cccc(ON3C(=O)CCC3=O)c2)CCOC(=O)C1 | null | *OCCC(C)(CC(*)=O)c1cccc(ON2C(=O)CCC2=O)c1 | polyester | 4 | [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) | ('', 'CC1(c2cccc(ON3C(=O)CCC3=O)c2)CCOC(=O)C1') | [[15*]C1(C)CCOC(=O)C1] + [[16*]c1cccc(ON2C(=O)CCC2=O)c1] -> [15*]-[*:1].[16*]-[*:2]>>[$([C&$(C(-&@C)-&@C)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [CC1(c2cccc(ON3C(=O)CCC3=O)c2)CCOC(=O)C1] | null | {[[15*]C1(C)CCOC(=O)C1] + [[16*]c1cccc(ON2C(=O)CCC2=O)c1] -> [15*]-[*:1].[16*]-[*:2]>>[$([C&$(C(-&@C)-&@C)]):1]-&!@[$([c&$(c(:c):c)]):2] -> [CC1(c2cccc(ON3C(=O)CCC3=O)c2)CCOC(=O)C1]} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OCCC(C)(CC(*)=O)c1cccc(ON2C(=O)CCC2=O)c1 | {CC1(c2cccc(ON3C(=O)CCC3=O)c2)CCOC(=O)C1} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OCCC(C)(CC(*)=O)c1cccc(ON2C(=O)CCC2=O)c1 | 97 |
98 | CO[Si](CCc1cc(=O)cc(C2CCCC(=O)O2)o1)(OC)OC | null | *OC(CCCC(*)=O)c1cc(=O)cc(CC[Si](OC)(OC)OC)o1 | polyester | 4 | [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) | ('', 'CO[Si](CCc1cc(=O)cc(C2CCCC(=O)O2)o1)(OC)OC') | [[8*]CC[Si](OC)(OC)OC] + [[14*]c1cc(=O)cc(C2CCCC(=O)O2)o1] -> [8*]-[*:1].[14*]-[*:2]>>[$([C&!R&!D1&!$(C!-*)]):1]-&!@[$([c&$(c(:[c,n,o,s]):[n,o,s])]):2] -> [CO[Si](CCc1cc(=O)cc(C2CCCC(=O)O2)o1)(OC)OC] | null | {[[8*]CC[Si](OC)(OC)OC] + [[14*]c1cc(=O)cc(C2CCCC(=O)O2)o1] -> [8*]-[*:1].[14*]-[*:2]>>[$([C&!R&!D1&!$(C!-*)]):1]-&!@[$([c&$(c(:[c,n,o,s]):[n,o,s])]):2] -> [CO[Si](CCc1cc(=O)cc(C2CCCC(=O)O2)o1)(OC)OC]} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)c1cc(=O)cc(CC[Si](OC)(OC)OC)o1 | {CO[Si](CCc1cc(=O)cc(C2CCCC(=O)O2)o1)(OC)OC} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)c1cc(=O)cc(CC[Si](OC)(OC)OC)o1 | 98 |
99 | CN(c1ccc(O)c(Br)c1)C1CCCC(=O)O1 | null | *OC(CCCC(*)=O)N(C)c1ccc(O)c(Br)c1 | polyester | 4 | [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) | ('', 'CN(c1ccc(O)c(Br)c1)C1CCCC(=O)O1') | [[13*]C1CCCC(=O)O1] + [[5*]N(C)c1ccc(O)c(Br)c1] -> [5*]-[*:1].[13*]-[*:2]>>[$([N&!D1&!$(N=*)&!$(N-[!#6&!#16&!#0&!#1])&!$([N&R]@[C&R]=O)]):1]-&!@[$([C&$(C(-&@[C,N,O,S])-&@[N,O,S])]):2] -> [CN(c1ccc(O)c(Br)c1)C1CCCC(=O)O1] | null | {[[13*]C1CCCC(=O)O1] + [[5*]N(C)c1ccc(O)c(Br)c1] -> [5*]-[*:1].[13*]-[*:2]>>[$([N&!D1&!$(N=*)&!$(N-[!#6&!#16&!#0&!#1])&!$([N&R]@[C&R]=O)]):1]-&!@[$([C&$(C(-&@[C,N,O,S])-&@[N,O,S])]):2] -> [CN(c1ccc(O)c(Br)c1)C1CCCC(=O)O1]} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)N(C)c1ccc(O)c(B... | {CN(c1ccc(O)c(Br)c1)C1CCCC(=O)O1} => [C&X3&R:1](=[O&X1])[O&X2&R:2]>>(*-[C&X3:1]=[O&X1].[O&X2:2]-*) => *OC(CCCC(*)=O)N(C)c1ccc(O)c(Br)c1 | 99 |
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