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EVODEX.1-N48

SMIRKS

Operator SMIRKS Rendering

[#6:1]-[#6:2](=[#8:3])-[#8:4]-[#6:5]>>[H]-[#8]-[#6@]1(-[H])-[#6@](-[H])(-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[#6@@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6](-[H])(-[H])-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[#6@@](-[H])(-[#8]-[H])-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16]-[#6:2](-[#6:1])=[#8:3])-[#8]-[#6@@]-1(-[H])-[#7]1:[#6](-[H]):[#7]:[#6]2:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:1:2.[H]-[#8:4]-[#6:5]

Source Partial Reactions

EVODEX.1-P1414

Partial Reaction Rendering

[C:49]([O:50][C:51]1:[C:52]([H:106]):[C:53]([C:54](=[C:55]([C:56](=[O:57])[O:58][C:59]([C:60](=[O:61])[O:62][H:107])([C:63](=[O:64])[O:65][H:108])[H:109])[H:110])[H:111]):[C:66]([H:112]):[C:67]([H:113]):[C:68]:1[O:69][H:114])([H:115])([H:116])[H:117]>>[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:55](=[C:54]([C:53]2:[C:52]([H:106]):[C:51]([O:50][C:49]([H:115])([H:116])[H:117]):[C:68]([O:69][H:114]):[C:67]([H:113]):[C:66]:2[H:112])[H:111])[H:110])=[O:57])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1.[H][O:58][C:59]([C:60](=[O:61])[O:62][H:107])([C:63](=[O:64])[O:65][H:108])[H:109]

EVODEX.1-P1457

Partial Reaction Rendering

[C:49]([O:50][C:51]1:[C:52]([H:113]):[C:53]([C:54](=[C:55]([C:56](=[O:57])[O:58][C:59]([C:60](=[O:61])[O:62][H:114])([C:63]([C:64]([C:65](=[O:66])[O:67][H:115])([H:116])[H:117])([C:68](=[O:69])[O:70][H:118])[H:119])[H:120])[H:121])[H:122]):[C:71]([H:123]):[C:72]([O:73][C:74]([H:124])([H:125])[H:126]):[C:75]:1[O:76][H:127])([H:128])([H:129])[H:130]>>[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:55](=[C:54]([C:53]2:[C:52]([H:113]):[C:51]([O:50][C:49]([H:128])([H:129])[H:130]):[C:75]([O:76][H:127]):[C:72]([O:73][C:74]([H:124])([H:125])[H:126]):[C:71]:2[H:123])[H:122])[H:121])=[O:57])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1.[H][O:58][C:59]([C:60](=[O:61])[O:62][H:114])([C:63]([C:64]([C:65](=[O:66])[O:67][H:115])([H:116])[H:117])([C:68](=[O:69])[O:70][H:118])[H:119])[H:120]

EVODEX.1-P1473

Partial Reaction Rendering

[C:49]([O:50][C:51]1:[C:52]([H:109]):[C:53]([C:54](=[C:55]([C:56](=[O:57])[O:58][C:59]2:[C:60]([H:110]):[C:61]([H:111]):[C:62]([H:112]):[C:63]([C:64](=[O:65])[O:66][H:113]):[C:67]:2[N:68]([H:114])[H:115])[H:116])[H:117]):[C:69]([H:118]):[C:70]([H:119]):[C:71]:1[O:72][H:120])([H:121])([H:122])[H:123]>>[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:55](=[C:54]([C:53]2:[C:52]([H:109]):[C:51]([O:50][C:49]([H:121])([H:122])[H:123]):[C:71]([O:72][H:120]):[C:70]([H:119]):[C:69]:2[H:118])[H:117])[H:116])=[O:57])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1.[H][O:58][C:59]1:[C:60]([H:110]):[C:61]([H:111]):[C:62]([H:112]):[C:63]([C:64](=[O:65])[O:66][H:113]):[C:67]:1[N:68]([H:114])[H:115]

EVODEX.1-P1480

Partial Reaction Rendering

[O:49]=[C:50]([C:51](=[C:52]([C:53]1:[C:54]([H:107]):[C:55]([H:108]):[C:56]([O:57][H:109]):[C:58]([H:110]):[C:59]:1[H:111])[H:112])[H:113])[O:60][C:61]1:[C:62]([H:114]):[C:63]([C:64](=[O:65])[O:66][H:115]):[C:67]([H:116]):[C:68]([H:117]):[C:69]:1[O:70][H:118]>>[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:50](=[O:49])[C:51](=[C:52]([C:53]2:[C:54]([H:107]):[C:55]([H:108]):[C:56]([O:57][H:109]):[C:58]([H:110]):[C:59]:2[H:111])[H:112])[H:113])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1.[H][O:60][C:61]1:[C:62]([H:114]):[C:63]([C:64](=[O:65])[O:66][H:115]):[C:67]([H:116]):[C:68]([H:117]):[C:69]:1[O:70][H:118]

EVODEX.1-P1482

Partial Reaction Rendering

[C:49]([O:50][C:51]1:[C:52]([H:112]):[C:53]([C:54](=[C:55]([C:56](=[O:57])[O:58][C@:59]2([H:113])[C:60]([H:114])([H:115])[C:61]([C:62](=[O:63])[O:64][H:116])=[C:65]([H:117])[C@:66]([O:67][H:118])([H:119])[C@:68]2([O:69][H:120])[H:121])[H:122])[H:123]):[C:70]([H:124]):[C:71]([O:72][C:73]([H:125])([H:126])[H:127]):[C:74]:1[O:75][H:128])([H:129])([H:130])[H:131]>>[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:55](=[C:54]([C:53]2:[C:52]([H:112]):[C:51]([O:50][C:49]([H:129])([H:130])[H:131]):[C:74]([O:75][H:128]):[C:71]([O:72][C:73]([H:125])([H:126])[H:127]):[C:70]:2[H:124])[H:123])[H:122])=[O:57])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1.[H][O:58][C@:59]1([H:113])[C:60]([H:114])([H:115])[C:61]([C:62](=[O:63])[O:64][H:116])=[C:65]([H:117])[C@:66]([O:67][H:118])([H:119])[C@:68]1([O:69][H:120])[H:121]

EVODEX.1-P1498

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](=[O:61])[O:62][C@:63]([C:64]([C:65](=[O:66])[O:67][H:109])([H:110])[H:111])([C:68]([N+:69]([C:70]([H:112])([H:113])[H:114])([C:71]([H:115])([H:116])[H:117])[C:72]([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])([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]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]([C:59]([C:58]([C:57]([C:56]([C:55]([C:54]([C:53]([C:52]([C:51]([C:50]([C:49]([H:144])([H:145])[H:146])([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])([H:124])[H:125])=[O:61])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1.[H][O:62][C@:63]([C:64]([C:65](=[O:66])[O:67][H:109])([H:110])[H:111])([C:68]([N+:69]([C:70]([H:112])([H:113])[H:114])([C:71]([H:115])([H:116])[H:117])[C:72]([H:118])([H:119])[H:120])([H:121])[H:122])[H:123]

EVODEX.1-P1530

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])[O:66][C:67]([C@@:68]1([H:153])[O:69][C@:70]([O:71][C@@:72]2([H:154])[C@@:73]([O:74][H:155])([H:156])[C@:75]([N:76]([C:77]([C:78]([H:157])([H:158])[H:159])=[O:79])[H:160])([H:161])[C@@:80]([O:81][C@@:82]3([H:162])[C@@:83]([O:84][H:163])([H:164])[C@:85]([N:86]([C:87]([C:88]([H:165])([H:166])[H:167])=[O:89])[H:168])([H:169])[C:90]([N:91]([C:92](=[O:93])[C:94]([C@:95]([N:96]([C:97]([C:98]([H:170])([H:171])[H:172])=[O:99])[H:173])([C:100]([N:101]([H:174])[H:175])=[O:102])[H:176])([H:177])[H:178])[H:179])([H:180])[O:103][C@@:104]3([C:105]([O:106][H:181])([H:182])[H:183])[H:184])([H:185])[O:107][C@@:108]2([C:109]([O:110][H:186])([H:187])[H:188])[H:189])([H:190])[C@:111]([O:112][H:191])([H:192])[C@:113]([O:114][H:193])([H:194])[C@@:115]1([O:116][H:195])[H:196])([H:197])[H:198])([H:199])[H:200])([H:201])[H:202])([H:203])[H:204])([H:205])[H:206])([H:207])[H:208])([H:209])[H:210])([H:211])[H:212])([H:213])[H:214])([H:215])[H:216])([H:217])[H:218])([H:219])[H:220])([H:221])[H:222])([H:223])[H:224])([H:225])[H:226])([H:227])([H:228])[H:229]>>[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:227])([H:228])[H:229])([H:225])[H:226])([H:223])[H:224])([H:221])[H:222])([H:219])[H:220])([H:217])[H:218])([H:215])[H:216])([H:213])[H:214])([H:211])[H:212])([H:209])[H:210])([H:207])[H:208])([H:205])[H:206])([H:203])[H:204])([H:201])[H:202])([H:199])[H:200])=[O:65])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1.[H][O:66][C:67]([C@@:68]1([H:153])[O:69][C@:70]([O:71][C@@:72]2([H:154])[C@@:73]([O:74][H:155])([H:156])[C@:75]([N:76]([C:77]([C:78]([H:157])([H:158])[H:159])=[O:79])[H:160])([H:161])[C@@:80]([O:81][C@@:82]3([H:162])[C@@:83]([O:84][H:163])([H:164])[C@:85]([N:86]([C:87]([C:88]([H:165])([H:166])[H:167])=[O:89])[H:168])([H:169])[C:90]([N:91]([C:92](=[O:93])[C:94]([C@:95]([N:96]([C:97]([C:98]([H:170])([H:171])[H:172])=[O:99])[H:173])([C:100]([N:101]([H:174])[H:175])=[O:102])[H:176])([H:177])[H:178])[H:179])([H:180])[O:103][C@@:104]3([C:105]([O:106][H:181])([H:182])[H:183])[H:184])([H:185])[O:107][C@@:108]2([C:109]([O:110][H:186])([H:187])[H:188])[H:189])([H:190])[C@:111]([O:112][H:191])([H:192])[C@:113]([O:114][H:193])([H:194])[C@@:115]1([O:116][H:195])[H:196])([H:197])[H:198]

EVODEX.1-P1696

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]([C:65]([C:66](=[O:67])[O:68][C@:69]([C:70]([O:71][C:72](=[O:73])[C:74]([C:75]([C:76]([C:77]([C:78]([C:79]([C:80]([C:81](=[C:82]([C:83]([C:84]([C:85]([C:86]([C:87]([C:88]([C:89]([C:90]([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:159])([H:160])[H:161])([H:162])[H:163])([H:164])[H:165])([H:166])[H:167])([H:168])[H:169])([H:170])[H:171])([H:172])[H:173])([C:91]([O:92][P:93](=[O:94])([O:95][H:174])[O:96][C:97]([C:98]([N+:99]([C:100]([H:175])([H:176])[H:177])([C:101]([H:178])([H:179])[H:180])[C:102]([H:181])([H:182])[H:183])([H:184])[H:185])([H:186])[H:187])([H:188])[H:189])[H:190])([H:191])[H:192])([H:193])[H:194])([H:195])[H:196])([H:197])[H:198])([H:199])[H:200])([H:201])[H:202])([H:203])[H:204])[H:205])[H:206])([H:207])[H:208])[H:209])[H:210])([H:211])[H:212])[H:213])[H:214])([H:215])[H:216])([H:217])([H:218])[H:219]>>[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:66]([C:65]([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:217])([H:218])[H:219])([H:215])[H:216])[H:214])[H:213])([H:211])[H:212])[H:210])[H:209])([H:207])[H:208])[H:206])[H:205])([H:203])[H:204])([H:201])[H:202])([H:199])[H:200])([H:197])[H:198])([H:195])[H:196])([H:193])[H:194])([H:191])[H:192])=[O:67])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1.[H][O:68][C@:69]([C:70]([O:71][C:72](=[O:73])[C:74]([C:75]([C:76]([C:77]([C:78]([C:79]([C:80]([C:81](=[C:82]([C:83]([C:84]([C:85]([C:86]([C:87]([C:88]([C:89]([C:90]([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:159])([H:160])[H:161])([H:162])[H:163])([H:164])[H:165])([H:166])[H:167])([H:168])[H:169])([H:170])[H:171])([H:172])[H:173])([C:91]([O:92][P:93](=[O:94])([O:95][H:174])[O:96][C:97]([C:98]([N+:99]([C:100]([H:175])([H:176])[H:177])([C:101]([H:178])([H:179])[H:180])[C:102]([H:181])([H:182])[H:183])([H:184])[H:185])([H:186])[H:187])([H:188])[H:189])[H:190]

EVODEX.1-P1726

Partial Reaction Rendering

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EVODEX.1-P1826

Partial Reaction Rendering

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