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EVODEX.1-E746

SMIRKS

Operator SMIRKS Rendering

[#6:78](-[#6@:50])(=[#8:79])-[#8]-[H].[#7](-[#6]1:[#7]:[#6](-[H]):[#7]:[#6]2:[#6]:1:[#7]:[#6](-[H]):[#7]:2-[#6@]1(-[H])-[#8]-[#6@@](-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:99]-[#15:100])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[H])-[H]>>[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#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]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[H])(-[H])-[H])(-[H])-[H])-[#6@@](-[#8]-[H])(-[#6](=[#8])-[#7](-[#6](-[#6](-[#6](=[#8])-[#7](-[#6](-[#6](-[#16]-[#6:78](-[#6@:50])=[#8:79])(-[H])-[H])(-[H])-[H])-[H])(-[H])-[H])(-[H])-[H])-[H])-[H])(-[H])(-[H])-[H].[#8:99](-[#15:100])-[H]

Source Partial Reactions

EVODEX.1-P6616

Partial Reaction Rendering

[H]O[C:54]([C:53]([C:52]([C:51]([C:50]([C:49]([H:133])([H:134])[H:135])([H:131])[H:132])([H:129])[H:130])([H:127])[H:128])([H:125])[H:126])=[O:55].[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])OP(=O)(O[H])[O:75][P:76](=[O:77])([O:78][H:140])[O:79][P:80](=[O:81])([O:82][H:141])[O:83][H:142]>>[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:54]([C:53]([C:52]([C:51]([C:50]([C:49]([H:133])([H:134])[H:135])([H:131])[H:132])([H:129])[H:130])([H:127])[H:128])([H:125])[H:126])=[O:55])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1.[H][O:75][P:76](=[O:77])([O:78][H:140])[O:79][P:80](=[O:81])([O:82][H:141])[O:83][H:142]

EVODEX.1-P6765

Partial Reaction Rendering

[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])OP(=O)(O[H])[O:67][P:68](=[O:69])([O:70][H:128])[O:71][P:72](=[O:73])([O:74][H:129])[O:75][H:130].[H]O[C:81](=[O:80])[C:83]([C:84](=[O:85])[C:86]([S:87][H:141])([H:142])[H:143])([H:144])[H:145]>>[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:81](=[O:80])[C:83]([C:84](=[O:85])[C:86]([S:87][H:141])([H:142])[H:143])([H:144])[H:145])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1.[H][O:67][P:68](=[O:69])([O:70][H:128])[O:71][P:72](=[O:73])([O:74][H:129])[O:75][H:130]

EVODEX.1-P6877

Partial Reaction Rendering

[H]O[C:15]([C:14]([C:13]([C:12]([C:11]([C:10]([C:9]([C:8]([C:7]([O:6][C:4]([C:3](=[C:2]([C:1]([H:156])([H:157])[H:158])[C:18]([C@:19]1([H:133])[O:20][C:21]([H:134])([H:135])[C@@:22]([C:23]([C@@:24]2([H:136])[O:25][C@:26]2([C@@:27]([C:28]([H:137])([H:138])[H:139])([C@:29]([C:30]([H:140])([H:141])[H:142])([O:31][H:143])[H:144])[H:145])[H:146])([H:147])[H:148])([H:149])[C@:32]([O:33][H:150])([H:151])[C@:34]1([O:35][H:152])[H:153])([H:154])[H:155])[H:132])=[O:5])([H:130])[H:131])([H:128])[H:129])([H:126])[H:127])([H:124])[H:125])([H:122])[H:123])([H:120])[H:121])([H:118])[H:119])([H:116])[H:117])=[O:16].[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])OP(=O)(O[H])[O:102][P:103](=[O:104])([O:105][H:199])[O:106][P:107](=[O:108])([O:109][H:200])[O:110][H:201]>>[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:15]([C:14]([C:13]([C:12]([C:11]([C:10]([C:9]([C:8]([C:7]([O:6][C:4]([C:3](=[C:2]([C:1]([H:156])([H:157])[H:158])[C:18]([C@:19]2([H:133])[O:20][C:21]([H:134])([H:135])[C@@:22]([C:23]([C@@:24]3([H:136])[O:25][C@:26]3([C@@:27]([C:28]([H:137])([H:138])[H:139])([C@:29]([C:30]([H:140])([H:141])[H:142])([O:31][H:143])[H:144])[H:145])[H:146])([H:147])[H:148])([H:149])[C@:32]([O:33][H:150])([H:151])[C@:34]2([O:35][H:152])[H:153])([H:154])[H:155])[H:132])=[O:5])([H:130])[H:131])([H:128])[H:129])([H:126])[H:127])([H:124])[H:125])([H:122])[H:123])([H:120])[H:121])([H:118])[H:119])([H:116])[H:117])=[O:16])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1.[H][O:102][P:103](=[O:104])([O:105][H:199])[O:106][P:107](=[O:108])([O:109][H:200])[O:110][H:201]

EVODEX.1-P6767

Partial Reaction Rendering

[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])OP(=O)(O[H])[O:67][P:68](=[O:69])([O:70][H:130])[O:71][P:72](=[O:73])([O:74][H:131])[O:75][H:132].[H]O[C:81](=[O:80])[C:83]([C:84]1:[C:85]([H:143]):[C:86]([H:144]):[C:87]([H:145]):[C:88]([H:146]):[C:89]:1[H:147])([H:148])[H:149]>>[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:81](=[O:80])[C:83]([C:84]2:[C:85]([H:143]):[C:86]([H:144]):[C:87]([H:145]):[C:88]([H:146]):[C:89]:2[H:147])([H:148])[H:149])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1.[H][O:67][P:68](=[O:69])([O:70][H:130])[O:71][P:72](=[O:73])([O:74][H:131])[O:75][H:132]

EVODEX.1-P6813

Partial Reaction Rendering

[H]O[C:67]([C:65]([C:64]([C:63]([C:62]([C:60]([C:59]([C:58]([C:57]([C:55]([C:54]([C:53]([C:52]([C:50]([C:49]([H:172])([H:173])[H:174])([C:51]([H:137])([H:138])[H:139])[H:171])([H:169])[H:170])([H:167])[H:168])([H:165])[H:166])([C:56]([H:140])([H:141])[H:142])[H:164])([H:162])[H:163])([H:160])[H:161])([H:158])[H:159])([C:61]([H:143])([H:144])[H:145])[H:157])([H:155])[H:156])([H:153])[H:154])([H:151])[H:152])([C:66]([H:146])([H:147])[H:148])[H:150])=[O:68].[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])OP(=O)(O[H])[O:88][P:89](=[O:90])([O:91][H:179])[O:92][P:93](=[O:94])([O:95][H:180])[O:96][H:181]>>[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:67]([C:65]([C:64]([C:63]([C:62]([C:60]([C:59]([C:58]([C:57]([C:55]([C:54]([C:53]([C:52]([C:50]([C:49]([H:172])([H:173])[H:174])([C:51]([H:137])([H:138])[H:139])[H:171])([H:169])[H:170])([H:167])[H:168])([H:165])[H:166])([C:56]([H:140])([H:141])[H:142])[H:164])([H:162])[H:163])([H:160])[H:161])([H:158])[H:159])([C:61]([H:143])([H:144])[H:145])[H:157])([H:155])[H:156])([H:153])[H:154])([H:151])[H:152])([C:66]([H:146])([H:147])[H:148])[H:150])=[O:68])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1.[H][O:88][P:89](=[O:90])([O:91][H:179])[O:92][P:93](=[O:94])([O:95][H:180])[O:96][H:181]