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EVODEX.1-E1233

SMIRKS

Operator SMIRKS Rendering

[#6:40]-[#16:41]-[#6:42]>>[#7](-[#6]1:[#7]:[#6](-[H]):[#7]:[#6]2:[#6]:1:[#7]:[#6](-[H]):[#7]:2-[#6@]1(-[H])-[#8]-[#6@@](-[#6](-[#16:41](-[#6:40])-[#6:42])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[H])-[H]

Source Partial Reactions

EVODEX.1-P2793

Partial Reaction Rendering

[C:1]([C:2]([C:3]([H:46])([H:47])[H:48])([C:4]([C:5]([S:6][C:7]([C:8]([C@:9]([N:10]([H:49])[H:50])([C:11](=[O:12])[O:13][H:51])[H:52])([H:53])[H:54])([H:55])[H:56])([H:57])[H:58])([H:59])[H:60])[H:61])([H:62])([H:63])[H:64]>>[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])[S+:6]([C:5]([C:4]([C:2]([C:1]([H:62])([H:63])[H:64])([C:3]([H:46])([H:47])[H:48])[H:61])([H:59])[H:60])([H:57])[H:58])[C:7]([C:8]([C@:9]([N:10]([H:49])[H:50])([C:11](=[O:12])[O:13][H:51])[H:52])([H:53])[H:54])([H:55])[H:56]

EVODEX.1-P2768

Partial Reaction Rendering

[C:1]([C:2]([C:3]([C:4]([S:5][C:6]([C:7]([C@:8]([N:9]([H:45])[H:46])([C:10](=[O:11])[O:12][H:47])[H:48])([H:49])[H:50])([H:51])[H:52])([H:53])[H:54])([H:55])[H:56])([H:57])[H:58])([H:59])([H:60])[H:61]>>[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])[S+:5]([C:4]([C:3]([C:2]([C:1]([H:59])([H:60])[H:61])([H:57])[H:58])([H:55])[H:56])([H:53])[H:54])[C:6]([C:7]([C@:8]([N:9]([H:45])[H:46])([C:10](=[O:11])[O:12][H:47])[H:48])([H:49])[H:50])([H:51])[H:52]

EVODEX.1-P2778

Partial Reaction Rendering

[C:1]([C:2]([C:3]([S:4][C:5]([C:6]([C@:7]([N:8]([H:44])[H:45])([C:9](=[O:10])[O:11][H:46])[H:47])([H:48])[H:49])([H:50])[H:51])([H:52])[H:53])([H:54])[H:55])([H:56])([H:57])[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])[S+:4]([C:3]([C:2]([C:1]([H:56])([H:57])[H:58])([H:54])[H:55])([H:52])[H:53])[C:5]([C:6]([C@:7]([N:8]([H:44])[H:45])([C:9](=[O:10])[O:11][H:46])[H:47])([H:48])[H:49])([H:50])[H:51]

EVODEX.1-P2788

Partial Reaction Rendering

[C:1]([C:2](=[C:3]([C:4]([S:5][C:6]([C:7]([C@:8]([N:9]([H:45])[H:46])([C:10](=[O:11])[O:12][H:47])[H:48])([H:49])[H:50])([H:51])[H:52])([H:53])[H:54])[H:55])[H:56])([H:57])([H:58])[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])[S+:5]([C:4]([C:3](=[C:2]([C:1]([H:57])([H:58])[H:59])[H:56])[H:55])([H:53])[H:54])[C:6]([C:7]([C@:8]([N:9]([H:45])[H:46])([C:10](=[O:11])[O:12][H:47])[H:48])([H:49])[H:50])([H:51])[H:52]

EVODEX.1-P2798

Partial Reaction Rendering

[N:1]#[C:2][C:3]([S:4][C:5]([C:6]([C@:7]([N:8]([H:44])[H:45])([C:9](=[O:10])[O:11][H:46])[H:47])([H:48])[H:49])([H:50])[H:51])([H:52])[H:53]>>[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])[S+:4]([C:3]([C:2]#[N:1])([H:52])[H:53])[C:5]([C:6]([C@:7]([N:8]([H:44])[H:45])([C:9](=[O:10])[O:11][H:46])[H:47])([H:48])[H:49])([H:50])[H:51]