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EVODEX.1-Nm170

SMIRKS

Operator SMIRKS Rendering

[#6]-[#16]-[#6:7](-[#6:6])=[#8:8].[H]-[#8:86]-[#15:85]>>[H]-[#8]-[#6:7](-[#6:6])=[#8:8].[#8]-[#15](=[#8])(-[#8])-[#8:86]-[#15:85]

Source Partial Reactions

EVODEX.1-P6613

Partial Reaction Rendering

[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:3]([C:2]([C:1]([H:122])([H:123])[H:124])([H:120])[H:121])=[O:4])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1.[H][O:78][P:77](=[O:76])([O:79][H:140])[O:80][P:81](=[O:82])([O:83][H:141])[O:84][H:142]>>[H]O[C:3]([C:2]([C:1]([H:122])([H:123])[H:124])([H:120])[H:121])=[O:4].[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:78][P:77](=[O:76])([O:79][H:140])[O:80][P:81](=[O:82])([O:83][H:141])[O:84][H:142]

EVODEX.1-P6617

Partial Reaction Rendering

[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:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:131])([H:132])[H:133])([H:129])[H:130])([H:127])[H:128])([H:125])[H:126])([H:123])[H:124])=[O:7])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1.[H][O:81][P:80](=[O:79])([O:82][H:149])[O:83][P:84](=[O:85])([O:86][H:150])[O:87][H:151]>>[H]O[C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:131])([H:132])[H:133])([H:129])[H:130])([H:127])[H:128])([H:125])[H:126])([H:123])[H:124])=[O:7].[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:81][P:80](=[O:79])([O:82][H:149])[O:83][P:84](=[O:85])([O:86][H:150])[O:87][H:151]

EVODEX.1-P6629

Partial Reaction Rendering

[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:6]([C:4]([C:3]([C:2]([C:1]([H:131])([H:132])[H:133])([H:129])[H:130])([H:127])[H:128])([C:5]([H:88])([H:89])[H:90])[H:126])=[O:7])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1.[H][O:81][P:80](=[O:79])([O:82][H:149])[O:83][P:84](=[O:85])([O:86][H:150])[O:87][H:151]>>[H]O[C:6]([C:4]([C:3]([C:2]([C:1]([H:131])([H:132])[H:133])([H:129])[H:130])([H:127])[H:128])([C:5]([H:88])([H:89])[H:90])[H:126])=[O:7].[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:81][P:80](=[O:79])([O:82][H:149])[O:83][P:84](=[O:85])([O:86][H:150])[O:87][H:151]

EVODEX.1-P6644

Partial Reaction Rendering

[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:4]([C:2]([C:1]([H:125])([H:126])[H:127])([C:3]([H:86])([H:87])[H:88])[H:124])=[O:5])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1.[H][O:79][P:78](=[O:77])([O:80][H:143])[O:81][P:82](=[O:83])([O:84][H:144])[O:85][H:145]>>[H]O[C:4]([C:2]([C:1]([H:125])([H:126])[H:127])([C:3]([H:86])([H:87])[H:88])[H:124])=[O:5].[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:79][P:78](=[O:77])([O:80][H:143])[O:81][P:82](=[O:83])([O:84][H:144])[O:85][H:145]

EVODEX.1-P6659

Partial Reaction Rendering

[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:4]([C:3]([C:2]([C:1]([H:125])([H:126])[H:127])([H:123])[H:124])([H:121])[H:122])=[O:5])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1.[H][O:79][P:78](=[O:77])([O:80][H:143])[O:81][P:82](=[O:83])([O:84][H:144])[O:85][H:145]>>[H]O[C:4]([C:3]([C:2]([C:1]([H:125])([H:126])[H:127])([H:123])[H:124])([H:121])[H:122])=[O:5].[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:79][P:78](=[O:77])([O:80][H:143])[O:81][P:82](=[O:83])([O:84][H:144])[O:85][H:145]

EVODEX.1-P6711

Partial Reaction Rendering

[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:4]([C:3]([C:2]([C:1]([H:125])([H:126])[H:127])([H:123])[H:124])([H:121])[H:122])=[O:5])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1.[H][O:83][P:82](=[O:81])([O:84][H:144])[O:85][H:145]>>[H]O[C:4]([C:3]([C:2]([C:1]([H:125])([H:126])[H:127])([H:123])[H:124])([H:121])[H:122])=[O:5].[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])OP(=O)(O[H])[O:83][P:82](=[O:81])([O:84][H:144])[O:85][H:145]

EVODEX.1-P6717

Partial Reaction Rendering

[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:3]([C:2]([C:1]([H:122])([H:123])[H:124])([H:120])[H:121])=[O:4])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1.[H][O:82][P:81](=[O:80])([O:83][H:141])[O:84][H:142]>>[H]O[C:3]([C:2]([C:1]([H:122])([H:123])[H:124])([H:120])[H:121])=[O:4].[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])OP(=O)(O[H])[O:82][P:81](=[O:80])([O:83][H:141])[O:84][H:142]

EVODEX.1-P6725

Partial Reaction Rendering

[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:4]([C:2]([C:1]([H:125])([H:126])[H:127])([C:3]([H:86])([H:87])[H:88])[H:124])=[O:5])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1.[H][O:83][P:82](=[O:81])([O:84][H:144])[O:85][H:145]>>[H]O[C:4]([C:2]([C:1]([H:125])([H:126])[H:127])([C:3]([H:86])([H:87])[H:88])[H:124])=[O:5].[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])OP(=O)(O[H])[O:83][P:82](=[O:81])([O:84][H:144])[O:85][H:145]

EVODEX.1-P6739

Partial Reaction Rendering

[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:5]([C:4]([C:3]([S:2][C:1]([H:126])([H:127])[H:128])([H:124])[H:125])([H:122])[H:123])=[O:6])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1.[H][O:84][P:83](=[O:82])([O:85][H:145])[O:86][H:146]>>[H]O[C:5]([C:4]([C:3]([S:2][C:1]([H:126])([H:127])[H:128])([H:124])[H:125])([H:122])[H:123])=[O:6].[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])OP(=O)(O[H])[O:84][P:83](=[O:82])([O:85][H:145])[O:86][H:146]

EVODEX.1-P6748

Partial Reaction Rendering

[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:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:134])([H:135])[H:136])([H:132])[H:133])([H:130])[H:131])([H:128])[H:129])([H:126])[H:127])([H:124])[H:125])=[O:8])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1.[H][O:86][P:85](=[O:84])([O:87][H:153])[O:88][H:154]>>[H]O[C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:134])([H:135])[H:136])([H:132])[H:133])([H:130])[H:131])([H:128])[H:129])([H:126])[H:127])([H:124])[H:125])=[O:8].[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])OP(=O)(O[H])[O:86][P:85](=[O:84])([O:87][H:153])[O:88][H:154]