EVODEX Logo

EVODEX.1-N282

SMIRKS

Operator SMIRKS Rendering

[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16](-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6@@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)-[#6@](-[H])(-[#8]-[H])-[#6@]-1(-[H])-[#8]-[H])-[#6:1](-[H:58])(-[H:59])-[H:60].[H]-[#16:28]-[#6:29]>>[#6:1](-[#16:28]-[#6:29])(-[H:58])(-[H:59])-[H:60]

Source Partial Reactions

EVODEX.1-P1297

Partial Reaction Rendering

[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])[S+](C([H])([H])[C@@]1([H])O[C@@]([H])(N2:C([H]):N:C3:C(N([H])[H]):N:C([H]):N:C:3:2)[C@]([H])(O[H])[C@]1([H])O[H])[C:1]([H:58])([H:59])[H:60].[H][S:35][C:34]1:[C:33]([H:62]):[C:32]([H:61]):[C:31]([O:30][C:29]([N:28]([H:68])[H:69])([H:66])[H:67]):[C:37]([H:65]):[C:36]:1[H:64]>>[C:1]([S:35][C:34]1:[C:33]([H:62]):[C:32]([H:61]):[C:31]([O:30][C:29]([N:28]([H:68])[H:69])([H:66])[H:67]):[C:37]([H:65]):[C:36]:1[H:64])([H:58])([H:59])[H:60]

EVODEX.1-P1299

Partial Reaction Rendering

[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])[S+](C([H])([H])[C@@]1([H])O[C@@]([H])(N2:C([H]):N:C3:C(N([H])[H]):N:C([H]):N:C:3:2)[C@]([H])(O[H])[C@]1([H])O[H])[C:10]([H:57])([H:58])[H:59].[H][S:7][C:6]1:[C:5]([H:61]):[C:4]([H:60]):[C:3]([O:2][C:1]([H:65])([H:66])[H:67]):[C:9]([H:64]):[C:8]:1[H:63]>>[C:1]([O:2][C:3]1:[C:4]([H:60]):[C:5]([H:61]):[C:6]([S:7][C:10]([H:57])([H:58])[H:59]):[C:8]([H:63]):[C:9]:1[H:64])([H:65])([H:66])[H:67]

EVODEX.1-P1301

Partial Reaction Rendering

[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])[S+](C([H])([H])[C@@]1([H])O[C@@]([H])(N2:C([H]):N:C3:C(N([H])[H]):N:C([H]):N:C:3:2)[C@]([H])(O[H])[C@]1([H])O[H])[C:1]([H:58])([H:59])[H:60].[H][S:35][C:34]1:[C:33]([H:62]):[C:32]([H:61]):[C:31]([N+:29](=[O:28])[O-:30]):[C:37]([H:65]):[C:36]:1[H:64]>>[C:1]([S:35][C:34]1:[C:33]([H:62]):[C:32]([H:61]):[C:31]([N+:29](=[O:28])[O-:30]):[C:37]([H:65]):[C:36]:1[H:64])([H:58])([H:59])[H:60]

EVODEX.1-P1304

Partial Reaction Rendering

[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])[S+](C([H])([H])[C@@]1([H])O[C@@]([H])(N2:C([H]):N:C3:C(N([H])[H]):N:C([H]):N:C:3:2)[C@]([H])(O[H])[C@]1([H])O[H])[C:1]([H:71])([H:72])[H:73].[H][S:32][C:31]1:[N:30]:[C:29](=[N:28][H:87]):[N:50]([H:86]):[C:49]2:[C:33]:1:[N:34]:[C:35]([H:75]):[N:36]:2[C@@:37]1([H:76])[C:38]([H:77])([H:78])[C@@:39]([O:40][H:79])([H:80])[C@:41]([C:42]([O:43][P:44](=[O:45])([O:46][H:81])[O:47][H:82])([H:83])[H:84])([H:85])[O:48]1>>[C:1]([S:32][C:31]1:[N:30]:[C:29](=[N:28][H:87]):[N:50]([H:86]):[C:49]2:[C:33]:1:[N:34]:[C:35]([H:75]):[N:36]:2[C@@:37]1([H:76])[C:38]([H:77])([H:78])[C@@:39]([O:40][H:79])([H:80])[C@:41]([C:42]([O:43][P:44](=[O:45])([O:46][H:81])[O:47][H:82])([H:83])[H:84])([H:85])[O:48]1)([H:71])([H:72])[H:73]

EVODEX.1-P1312

Partial Reaction Rendering

[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])[S+](C([H])([H])[C@@]1([H])O[C@@]([H])(N2:C([H]):N:C3:C(N([H])[H]):N:C([H]):N:C:3:2)[C@]([H])(O[H])[C@]1([H])O[H])[C:1]([H:58])([H:59])[H:60].[H][S:28][C:29]1:[N:30]:[C:31]2:[C:32]([H:61]):[C:33]([H:62]):[C:34]([H:63]):[C:35]([H:64]):[C:36]:2:[S:37]:1>>[C:1]([S:28][C:29]1:[N:30]:[C:31]2:[C:32]([H:61]):[C:33]([H:62]):[C:34]([H:63]):[C:35]([H:64]):[C:36]:2:[S:37]:1)([H:58])([H:59])[H:60]