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EVODEX.1-E1386

SMIRKS

Operator SMIRKS Rendering

[#6:42](-[#6@:40])(=[#8:43])-[#8:44]-[H:107]>>[#6:42](-[#6@:40])(=[#8:43])-[#7](-[#6@@](-[#6](-[#16]-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H].[#8:44](-[#15](-[#8]-[#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])(=[#8])-[#8]-[H])-[H:107]

Source Partial Reactions

EVODEX.1-P7365

Partial Reaction Rendering

[C:1]([S:2][C:3]([C:4]([C@:5]([N:6]([H:48])[H:49])([C:7](=[O:8])[O:9][H:50])[H:51])([H:52])[H:53])([H:54])[H:55])([H:56])([H:57])[H:58]>>[H]OC(=O)[C@@]([H])(N([H])[C:7]([C@:5]([C:4]([C:3]([S:2][C:1]([H:56])([H:57])[H:58])([H:54])[H:55])([H:52])[H:53])([N:6]([H:48])[H:49])[H:51])=[O:8])C([H])([H])S[H].[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:9][H:50]

EVODEX.1-P7068

Partial Reaction Rendering

[C:1]([N:2]([C@@:3]([C:4]([C:5]([C:6](=[O:7])[O:8][H:50])([H:51])[H:52])([H:53])[H:54])([C:9](=[O:10])[O:11][H:55])[H:56])[H:57])([H:58])([H:59])[H:60]>>[H]OC(=O)[C@@]([H])(N([H])[C:9]([C@@:3]([N:2]([C:1]([H:58])([H:59])[H:60])[H:57])([C:4]([C:5]([C:6](=[O:7])[O:8][H:50])([H:51])[H:52])([H:53])[H:54])[H:56])=[O:10])C([H])([H])S[H].[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:11][H:55]

EVODEX.1-P7031

Partial Reaction Rendering

[N:1]([C@@:2]([C:3]([C:4]([C:5](=[O:6])[O:7][H:72])([H:73])[H:74])([H:75])[H:76])([C:8](=[O:9])[O:10][H:77])[H:78])([H:79])[H:80]>>[H]OC(=O)[C@@]([H])(N([H])[C:5]([C:4]([C:3]([C@:2]([N:1]([H:79])[H:80])([C:8](=[O:9])[O:10][H:77])[H:78])([H:75])[H:76])([H:73])[H:74])=[O:6])C([H])([H])S[H].[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:7][H:72]

EVODEX.1-P7033

Partial Reaction Rendering

[N:1]([C@@:2]([C:3]([C:4]([C:5](=[O:6])[O:7][H:72])([H:73])[H:74])([H:75])[H:76])([C:8](=[O:9])[O:10][H:77])[H:78])([H:79])[H:80]>>[H]OC(=O)[C@@]([H])(N([H])[C:8]([C@@:2]([N:1]([H:79])[H:80])([C:3]([C:4]([C:5](=[O:6])[O:7][H:72])([H:73])[H:74])([H:75])[H:76])[H:78])=[O:9])C([H])([H])S[H].[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:10][H:77]

EVODEX.1-P7414

Partial Reaction Rendering

[N:8]([C@@:9]([C:10]([C:11]1:[C:12]([H:73]):[N:13]([H:74]):[C:14]([H:75]):[N:15]:1)([H:76])[H:77])([C:16](=[O:17])[O:18][H:78])[H:79])([H:80])[H:81]>>[H]OC(=O)[C@@]([H])(N([H])[C:16]([C@@:9]([N:8]([H:80])[H:81])([C:10]([C:11]1:[C:12]([H:73]):[N:13]([H:74]):[C:14]([H:75]):[N:15]:1)([H:76])[H:77])[H:79])=[O:17])C([H])([H])S[H].[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:18][H:78]