EVODEX.1-E748

SMIRKS

[#6:78](-[#6@:50])(=[#8:79])-[#8:80]-[H:189]>>[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6](-[#6@@]1(-[H])-[#8]-[#6@](-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[H])(-[H])-[H])(-[H])-[H])-[#6@@](-[#8]-[H])(-[#6](=[#8])-[#7](-[#6](-[#6](-[#6](=[#8])-[#7](-[#6](-[#6](-[#16]-[#6:78](-[#6@:50])=[#8:79])(-[H])-[H])(-[H])-[H])-[H])(-[H])-[H])(-[H])-[H])-[H])-[H])(-[H])(-[H])-[H].[#8:80](-[#15](-[#8]-[#6](-[#6@@]1(-[H])-[#8]-[#6@](-[#7]2:[#6]3:[#7]:[#6](-[H]):[#7]:[#6](-[#7](-[H])-[H]):[#6]:3:[#7]:[#6]:2-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[H])-[H])(-[H])-[H])(=[#8])-[#8]-[H])-[H:189]

Source Partial Reactions

EVODEX.1-P6763

[O:80]=[C:81]([O:82][H:138])[C:83]([C:84]([O:85][H:139])([H:140])[H:141])([H:142])[H:143]>>[H]O[C@]1([H])[C@]([H])(OP(=O)(O[H])O[H])[C@@]([H])(C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]([H])(O[H])C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])S[C:81](=[O:80])[C:83]([C:84]([O:85][H:139])([H:140])[H:141])([H:142])[H:143])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1.[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):N:C3:C(N([H])[H]):N:C([H]):N:C:3:2)O[C@]1([H])C([H])([H])OP(=O)(O[H])[O:82][H:138]

EVODEX.1-P6769

[N:49]([C:50]1:[C:51]([H:126]):[C:52]([H:127]):[C:53]([H:128]):[C:54]([H:129]):[C:55]:1[C:56](=[O:57])[O:58][H:130])([H:131])[H:132]>>[H]O[C@]1([H])[C@]([H])(OP(=O)(O[H])O[H])[C@@]([H])(C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]([H])(O[H])C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])S[C:56]([C:55]2:[C:50]([N:49]([H:131])[H:132]):[C:51]([H:126]):[C:52]([H:127]):[C:53]([H:128]):[C:54]:2[H:129])=[O:57])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1.[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):N:C3:C(N([H])[H]):N:C([H]):N:C:3:2)O[C@]1([H])C([H])([H])OP(=O)(O[H])[O:58][H:130]

EVODEX.1-P6800

[C:49]([O:50][C:51]1:[C:52]([H:128]):[C:53]([C:54](=[O:55])[O:56][H:129]):[C:57]([H:130]):[C:58]([H:131]):[C:59]:1[O:60][H:132])([H:133])([H:134])[H:135]>>[H]O[C@]1([H])[C@]([H])(OP(=O)(O[H])O[H])[C@@]([H])(C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]([H])(O[H])C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])S[C:54]([C:53]2:[C:52]([H:128]):[C:51]([O:50][C:49]([H:133])([H:134])[H:135]):[C:59]([O:60][H:132]):[C:58]([H:131]):[C:57]:2[H:130])=[O:55])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1.[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):N:C3:C(N([H])[H]):N:C([H]):N:C:3:2)O[C@]1([H])C([H])([H])OP(=O)(O[H])[O:56][H:129]

EVODEX.1-P6869

[O:80]=[C:81]([O:82][H:144])[C:83]([C:84]([O:85][H:145])([H:146])[H:147])([C:86]1:[C:87]([H:148]):[C:88]([H:149]):[C:89]([H:150]):[C:90]([H:151]):[C:91]:1[H:152])[H:153]>>[H]O[C@]1([H])[C@]([H])(OP(=O)(O[H])O[H])[C@@]([H])(C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]([H])(O[H])C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])S[C:81](=[O:80])[C:83]([C:84]([O:85][H:145])([H:146])[H:147])([C:86]2:[C:87]([H:148]):[C:88]([H:149]):[C:89]([H:150]):[C:90]([H:151]):[C:91]:2[H:152])[H:153])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1.[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):N:C3:C(N([H])[H]):N:C([H]):N:C:3:2)O[C@]1([H])C([H])([H])OP(=O)(O[H])[O:82][H:144]

EVODEX.1-P6845

[C:49]([O:50][C:51]1:[C:52]([H:132]):[C:53]([H:133]):[C:54]2:[C:55]([H:134]):[C:56]([H:135]):[C:57]([O:58][H:136]):[C:59]([C:60](=[O:61])[O:62][H:137]):[C:63]:2:[C:64]:1[H:138])([H:139])([H:140])[H:141]>>[H]O[C@]1([H])[C@]([H])(OP(=O)(O[H])O[H])[C@@]([H])(C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]([H])(O[H])C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])S[C:60]([C:59]2:[C:57]([O:58][H:136]):[C:56]([H:135]):[C:55]([H:134]):[C:54]3:[C:53]([H:133]):[C:52]([H:132]):[C:51]([O:50][C:49]([H:139])([H:140])[H:141]):[C:64]([H:138]):[C:63]:3:2)=[O:61])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1.[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):N:C3:C(N([H])[H]):N:C([H]):N:C:3:2)O[C@]1([H])C([H])([H])OP(=O)(O[H])[O:62][H:137]