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EVODEX.1-Em433

SMIRKS

Operator SMIRKS Rendering

[#6:53]-[#6:54](-[#8:55])(-[#6:56])-[#6:60](=[#8:61])-[#6:62]>>[#6]-[#16]-[#6:60](=[#8:61])-[#6:62].[H]-[#6:54](-[#6:53])(-[#8:55])-[#6:56]

Source Partial Reactions

EVODEX.1-P1499

Partial Reaction Rendering

[C:49]([C:50]([C:51]([C:52]([C:53]([C:54]([C:55]([C:56]([C:57]([C:58]([C:59]([C:60]([C:61]([C:62]([C:63]([C:64](=[O:65])[C@@:66]([O:67][H:113])([C:68]([C:69](=[O:70])[O:71][H:114])([H:115])[H:116])[C:72]([N+:73]([C:74]([H:117])([H:118])[H:119])([C:75]([H:120])([H:121])[H:122])[C:76]([H:123])([H:124])[H:125])([H:126])[H:127])([H:128])[H:129])([H:130])[H:131])([H:132])[H:133])([H:134])[H:135])([H:136])[H:137])([H:138])[H:139])([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][C@@:66]([O:67][H:113])([C:68]([C:69](=[O:70])[O:71][H:114])([H:115])[H:116])[C:72]([N+:73]([C:74]([H:117])([H:118])[H:119])([C:75]([H:120])([H:121])[H:122])[C:76]([H:123])([H:124])[H:125])([H:126])[H:127].[H]O[C@]1([H])[C@]([H])(OP(=O)(O[H])O[H])[C@@]([H])(C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]([H])(O[H])C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])S[C:64]([C:63]([C:62]([C:61]([C:60]([C:59]([C:58]([C:57]([C:56]([C:55]([C:54]([C:53]([C:52]([C:51]([C:50]([C:49]([H:156])([H:157])[H:158])([H:154])[H:155])([H:152])[H:153])([H:150])[H:151])([H:148])[H:149])([H:146])[H:147])([H:144])[H:145])([H:142])[H:143])([H:140])[H:141])([H:138])[H:139])([H:136])[H:137])([H:134])[H:135])([H:132])[H:133])([H:130])[H:131])([H:128])[H:129])=[O:65])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1

EVODEX.1-P1504

Partial Reaction Rendering

[C:1]([C:2](=[O:3])[C:4]([C:5](=[O:6])[C@:7]([O:8][H:102])([C:9]([C:10](=[O:11])[O:12][H:103])([H:104])[H:105])[C:13]([N+:14]([C:15]([H:106])([H:107])[H:108])([C:16]([H:109])([H:110])[H:111])[C:17]([H:112])([H:113])[H:114])([H:115])[H:116])([H:117])[H:118])([H:119])([H:120])[H:121]>>[H][C@@:7]([O:8][H:102])([C:9]([C:10](=[O:11])[O:12][H:103])([H:104])[H:105])[C:13]([N+:14]([C:15]([H:106])([H:107])[H:108])([C:16]([H:109])([H:110])[H:111])[C:17]([H:112])([H:113])[H:114])([H:115])[H:116].[H]O[C@]1([H])[C@]([H])(OP(=O)(O[H])O[H])[C@@]([H])(C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]([H])(O[H])C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])S[C:5]([C:4]([C:2]([C:1]([H:119])([H:120])[H:121])=[O:3])([H:117])[H:118])=[O:6])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1

EVODEX.1-P1509

Partial Reaction Rendering

[C:49]([C:50]([C:51]([C:52]([C:53]([C:54]([C:55]([C:56]([C:57]([C:58]([C:59]([C:60]([C:61]([C:62](=[O:63])[C@@:64]([O:65][H:111])([C:66]([C:67](=[O:68])[O:69][H:112])([H:113])[H:114])[C:70]([N+:71]([C:72]([H:115])([H:116])[H:117])([C:73]([H:118])([H:119])[H:120])[C:74]([H:121])([H:122])[H:123])([H:124])[H:125])([H:126])[H:127])([H:128])[H:129])([H:130])[H:131])([H:132])[H:133])([H:134])[H:135])([H:136])[H:137])([H:138])[H:139])([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][C@@:64]([O:65][H:111])([C:66]([C:67](=[O:68])[O:69][H:112])([H:113])[H:114])[C:70]([N+:71]([C:72]([H:115])([H:116])[H:117])([C:73]([H:118])([H:119])[H:120])[C:74]([H:121])([H:122])[H:123])([H:124])[H:125].[H]O[C@]1([H])[C@]([H])(OP(=O)(O[H])O[H])[C@@]([H])(C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]([H])(O[H])C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])S[C:62]([C:61]([C:60]([C:59]([C:58]([C:57]([C:56]([C:55]([C:54]([C:53]([C:52]([C:51]([C:50]([C:49]([H:150])([H:151])[H:152])([H:148])[H:149])([H:146])[H:147])([H:144])[H:145])([H:142])[H:143])([H:140])[H:141])([H:138])[H:139])([H:136])[H:137])([H:134])[H:135])([H:132])[H:133])([H:130])[H:131])([H:128])[H:129])([H:126])[H:127])=[O:63])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1

EVODEX.1-P1511

Partial Reaction Rendering

[C:49]([C:50]([C:51]([C:52]([C:53]([C:54]([C:55]([H:105])([H:106])[H:107])([H:108])[H:109])([H:110])[H:111])([C:56](=[O:57])[C@@:58]([O:59][H:112])([C:60]([C:61](=[O:62])[O:63][H:113])([H:114])[H:115])[C:64]([N+:65]([C:66]([H:116])([H:117])[H:118])([C:67]([H:119])([H:120])[H:121])[C:68]([H:122])([H:123])[H:124])([H:125])[H:126])[H:127])([H:128])[H:129])([H:130])[H:131])([H:132])([H:133])[H:134]>>[H][C@@:58]([O:59][H:112])([C:60]([C:61](=[O:62])[O:63][H:113])([H:114])[H:115])[C:64]([N+:65]([C:66]([H:116])([H:117])[H:118])([C:67]([H:119])([H:120])[H:121])[C:68]([H:122])([H:123])[H:124])([H:125])[H:126].[H]O[C@]1([H])[C@]([H])(OP(=O)(O[H])O[H])[C@@]([H])(C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]([H])(O[H])C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])S[C:56]([C:52]([C:51]([C:50]([C:49]([H:132])([H:133])[H:134])([H:130])[H:131])([H:128])[H:129])([C:53]([C:54]([C:55]([H:105])([H:106])[H:107])([H:108])[H:109])([H:110])[H:111])[H:127])=[O:57])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1

EVODEX.1-P1852

Partial Reaction Rendering

[C:49]([N+:50]([C:51]([H:100])([H:101])[H:102])([C:52]([H:103])([H:104])[H:105])[C:53]([C:54]([O:55][H:106])([C:56]([C:57](=[O:58])[O:59][H:107])([H:108])[H:109])[C:60](=[O:61])[C:62]([Br:63])([H:110])[H:111])([H:112])[H:113])([H:114])([H:115])[H:116]>>[H]O[C@]1([H])[C@]([H])(OP(=O)(O[H])O[H])[C@@]([H])(C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]([H])(O[H])C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])S[C:60](=[O:61])[C:62]([Br:63])([H:110])[H:111])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1.[H][C@@:54]([C:53]([N+:50]([C:49]([H:114])([H:115])[H:116])([C:51]([H:100])([H:101])[H:102])[C:52]([H:103])([H:104])[H:105])([H:112])[H:113])([O:55][H:106])[C:56]([C:57](=[O:58])[O:59][H:107])([H:108])[H:109]