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EVODEX.1-E1052

SMIRKS

Operator SMIRKS Rendering

[#6:1](-[#16](-[#6](-[#6](-[#6@](-[#7](-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])-[H])(-[H])-[H])-[#6](-[#6@@]1(-[H])-[#8]-[#6@](-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[H])-[H])(-[H])-[H])(-[H:56])(-[H:57])-[H:58].[#7:28](-[#6:29])(-[H:66])-[H]>>[#6:1](-[#7:28](-[#6:29])-[H:66])(-[H:56])(-[H:57])-[H:58]

Source Partial Reactions

EVODEX.1-P1225

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:61])([H:62])[H:63].[H][N:28]([C:29](=[O:30])[C:31]1:[C:32]([H:64]):[N:33]:[C:34]2:[C:35]([H:65]):[C:36]([H:66]):[C:37]([H:67]):[C:38]([H:68]):[C:39]:2:[C:40]:1[H:69])[H:70]>>[C:1]([N:28]([C:29](=[O:30])[C:31]1:[C:32]([H:64]):[N:33]:[C:34]2:[C:35]([H:65]):[C:36]([H:66]):[C:37]([H:67]):[C:38]([H:68]):[C:39]:2:[C:40]:1[H:69])[H:70])([H:61])([H:62])[H:63]

EVODEX.1-P1276

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:59])([H:60])[H:61].[H][N:28]([C:29]([C:30]([O:31][H:62])([H:63])[H:64])([C:32]1:[C:33]([H:65]):[C:34]([H:66]):[C:35]([H:67]):[C:36]([O:37][H:68]):[C:38]:1[H:69])[H:70])[H:71]>>[C:1]([N:28]([C:29]([C:30]([O:31][H:62])([H:63])[H:64])([C:32]1:[C:33]([H:65]):[C:34]([H:66]):[C:35]([H:67]):[C:36]([O:37][H:68]):[C:38]:1[H:69])[H:70])[H:71])([H:59])([H:60])[H:61]

EVODEX.1-P1283

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:65])([H:66])[H:67].[H][N:28]([C:29]([C:30]([C:31]1:[C:32]([H:68]):[N:33]([H:69]):[C:34]2:[C:35]([H:70]):[C:36]([H:71]):[C:37]([H:72]):[C:38]([O:39][P:40](=[O:41])([O:42][H:73])[O:43][H:74]):[C:44]:1:2)([H:75])[H:76])([H:77])[H:78])[H:79]>>[C:1]([N:28]([C:29]([C:30]([C:31]1:[C:32]([H:68]):[N:33]([H:69]):[C:34]2:[C:35]([H:70]):[C:36]([H:71]):[C:37]([H:72]):[C:38]([O:39][P:40](=[O:41])([O:42][H:73])[O:43][H:74]):[C:44]:1:2)([H:75])[H:76])([H:77])[H:78])[H:79])([H:65])([H:66])[H:67]

EVODEX.1-P1287

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:59])([H:60])[H:61].[H][N:28]([C@@:29]([C:30]([C:31]1:[C:32]([H:62]):[N:33]:[C:34]([H:63]):[N:35]:1[H:64])([H:65])[H:66])([C:36](=[O:37])[O:38][H:67])[H:68])[H:69]>>[C:1]([N:28]([C@@:29]([C:30]([C:31]1:[C:32]([H:62]):[N:33]:[C:34]([H:63]):[N:35]:1[H:64])([H:65])[H:66])([C:36](=[O:37])[O:38][H:67])[H:68])[H:69])([H:59])([H:60])[H:61]

EVODEX.1-P1279

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:106])([H:107])[H:108].[H][N:30]([C:29](=[N:28][H:161])[N:31]([C:32]([C:33]([C:34]([C@:35]([N:36]([C:37](=[O:38])[C:39]([N:40]([C:41](=[O:42])[C:43]([N:44]([C:45](=[O:46])[C@:47]1([H:111])[C:48]([H:112])([H:113])[C:49]([H:114])([H:115])[C:50]([H:116])([H:117])[N:51]1[C:52](=[O:53])[C:54]([N:55]([C:56](=[O:57])[C:58]([N:59]([H:118])[H:119])([H:120])[H:121])[H:122])([H:123])[H:124])[H:125])([H:126])[H:127])[H:128])([H:129])[H:130])[H:131])([C:60](=[O:61])[N:62]([C:63]([C:64](=[O:65])[N:66]([C:67]([C:68](=[O:69])[N:70]1[C:71]([H:132])([H:133])[C:72]([H:134])([H:135])[C:73]([H:136])([H:137])[C@:74]1([C:75](=[O:76])[N:77]([C:78]([C:79](=[O:80])[N:81]([C:82]([C:83]([N:84]([H:138])[H:139])=[O:85])([H:140])[H:141])[H:142])([H:143])[H:144])[H:145])[H:146])([H:147])[H:148])[H:149])([H:150])[H:151])[H:152])[H:153])([H:154])[H:155])([H:156])[H:157])([H:158])[H:159])[H:160])[H:109]>>[C:1]([N:30]([C:29](=[N:28][H:161])[N:31]([C:32]([C:33]([C:34]([C@:35]([N:36]([C:37](=[O:38])[C:39]([N:40]([C:41](=[O:42])[C:43]([N:44]([C:45](=[O:46])[C@:47]1([H:111])[C:48]([H:112])([H:113])[C:49]([H:114])([H:115])[C:50]([H:116])([H:117])[N:51]1[C:52](=[O:53])[C:54]([N:55]([C:56](=[O:57])[C:58]([N:59]([H:118])[H:119])([H:120])[H:121])[H:122])([H:123])[H:124])[H:125])([H:126])[H:127])[H:128])([H:129])[H:130])[H:131])([C:60](=[O:61])[N:62]([C:63]([C:64](=[O:65])[N:66]([C:67]([C:68](=[O:69])[N:70]1[C:71]([H:132])([H:133])[C:72]([H:134])([H:135])[C:73]([H:136])([H:137])[C@:74]1([C:75](=[O:76])[N:77]([C:78]([C:79](=[O:80])[N:81]([C:82]([C:83]([N:84]([H:138])[H:139])=[O:85])([H:140])[H:141])[H:142])([H:143])[H:144])[H:145])[H:146])([H:147])[H:148])[H:149])([H:150])[H:151])[H:152])[H:153])([H:154])[H:155])([H:156])[H:157])([H:158])[H:159])[H:160])[H:109])([H:106])([H:107])[H:108]