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EVODEX.1-E1403

SMIRKS

Operator SMIRKS Rendering

[#7:1](-[#6@@:2])(-[H:59])-[H].[#7](-[#6]1:[#7]:[#6](-[H]):[#7]:[#6]2:[#6]:1:[#7]:[#6](-[H]):[#7]:2-[#6@]1(-[H])-[#8]-[#6@@](-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:45]-[#15:46])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[H])-[H]>>[#7:1](-[#6@@:2])(-[#6](-[#6@@](-[#7](-[H])-[H])(-[#6](-[#6]1:[#6](-[H]):[#7](-[H]):[#6]2:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1:2)(-[H])-[H])-[H])=[#8])-[H:59].[#8:45](-[#15:46])-[H]

Source Partial Reactions

EVODEX.1-P7322

Partial Reaction Rendering

[H][N:5]([C@@:4]([C@@:2]([C:1]([H:61])([H:62])[H:63])([O:3][H:55])[H:60])([C:6](=[O:7])[O:8][H:58])[H:59])[H:56].[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:46][P:47](=[O:48])([O:49][H:69])[O:50][H:70]>>[H]C1:C([H]):C([H]):C2:C(:C:1[H]):C(C([H])([H])[C@@]([H])(C(=O)[N:5]([C@@:4]([C@@:2]([C:1]([H:61])([H:62])[H:63])([O:3][H:55])[H:60])([C:6](=[O:7])[O:8][H:58])[H:59])[H:56])N([H])[H]):C([H]):N:2[H].[H][O:46][P:47](=[O:48])([O:49][H:69])[O:50][H:70]

EVODEX.1-P7308

Partial Reaction Rendering

[H][N:1]([C:2]([C:3](=[O:4])[O:5][H:52])([H:53])[H:54])[H:55].[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:43][P:44](=[O:45])([O:46][H:62])[O:47][H:63]>>[H]C1:C([H]):C([H]):C2:C(:C:1[H]):C(C([H])([H])[C@@]([H])(C(=O)[N:1]([C:2]([C:3](=[O:4])[O:5][H:52])([H:53])[H:54])[H:55])N([H])[H]):C([H]):N:2[H].[H][O:43][P:44](=[O:45])([O:46][H:62])[O:47][H:63]

EVODEX.1-P7303

Partial Reaction Rendering

[H][N:6]([C@@:5]([C:4]([C:2]([N:1]([H:74])[H:75])=[O:3])([H:72])[H:73])([C:7](=[O:8])[O:9][H:70])[H:71])[H:68].[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:47][P:48](=[O:49])([O:50][H:81])[O:51][H:82]>>[H]C1:C([H]):C([H]):C2:C(:C:1[H]):C(C([H])([H])[C@@]([H])(C(=O)[N:6]([C@@:5]([C:4]([C:2]([N:1]([H:74])[H:75])=[O:3])([H:72])[H:73])([C:7](=[O:8])[O:9][H:70])[H:71])[H:68])N([H])[H]):C([H]):N:2[H].[H][O:47][P:48](=[O:49])([O:50][H:81])[O:51][H:82]

EVODEX.1-P7311

Partial Reaction Rendering

[H][N:6]([C@@:5]([C@:3]([C:2]([C:1]([H:66])([H:67])[H:68])([H:64])[H:65])([C:4]([H:56])([H:57])[H:58])[H:63])([C:7](=[O:8])[O:9][H:61])[H:62])[H:59].[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:47][P:48](=[O:49])([O:50][H:86])[O:51][H:87]>>[H]C1:C([H]):C([H]):C2:C(:C:1[H]):C(C([H])([H])[C@@]([H])(C(=O)[N:6]([C@@:5]([C@:3]([C:2]([C:1]([H:66])([H:67])[H:68])([H:64])[H:65])([C:4]([H:56])([H:57])[H:58])[H:63])([C:7](=[O:8])[O:9][H:61])[H:62])[H:59])N([H])[H]):C([H]):N:2[H].[H][O:47][P:48](=[O:49])([O:50][H:86])[O:51][H:87]

EVODEX.1-P7328

Partial Reaction Rendering

[H][N:5]([C@@:4]([C:2]([C:1]([H:63])([H:64])[H:65])([C:3]([H:55])([H:56])[H:57])[H:62])([C:6](=[O:7])[O:8][H:60])[H:61])[H:58].[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:46][P:47](=[O:48])([O:49][H:71])[O:50][H:72]>>[H]C1:C([H]):C([H]):C2:C(:C:1[H]):C(C([H])([H])[C@@]([H])(C(=O)[N:5]([C@@:4]([C:2]([C:1]([H:63])([H:64])[H:65])([C:3]([H:55])([H:56])[H:57])[H:62])([C:6](=[O:7])[O:8][H:60])[H:61])[H:58])N([H])[H]):C([H]):N:2[H].[H][O:46][P:47](=[O:48])([O:49][H:71])[O:50][H:72]