EVODEX.1-E1322

SMIRKS

[#7](=[#6](-[#7](-[H])-[H])-[#7](-[#6](-[#6](-[#6](-[#6@](-[#7](-[#6](=[#8])-[#6@](-[#6](-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])(-[H])-[H])(-[#7](-[#6](=[#8])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[#7](-[H])-[H])-[H])-[H])-[H])(-[#6](=[#8])-[#7:32](-[#6@@:33])-[H:107])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])-[H])-[H]>>[#7:32](-[#6@@:33])(-[H:107])-[H]

Source Partial Reactions

EVODEX.1-P5061

[H]N=C(N([H])[H])N([H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C(=O)[N:21]([C@:18]([C:16]([N:15]([C@:12]([C:10]([N:9]([C@@:8]([C:7]([C:6]([C:5]([N:4]([C:2](=[N:1][H:129])[N:3]([H:72])[H:73])[H:128])([H:126])[H:127])([H:124])[H:125])([H:122])[H:123])([C:53](=[O:54])[N:55]([C:56]([C:57]([N:58]([C:59]1:[C:60]([H:112]):[C:61]([H:113]):[C:62]([N+:63](=[O:64])[O-:65]):[C:66]([H:114]):[C:67]:1[N+:68](=[O:69])[O-:70])[H:115])([H:116])[H:117])([H:118])[H:119])[H:120])[H:121])[H:111])=[O:11])([C:13]([O:14][H:74])([H:75])[H:76])[H:110])[H:109])=[O:17])([C:19]([O:20][H:77])([H:78])[H:79])[H:108])[H:107])N([H])C(=O)[C@@]([H])(N([H])C(=O)C1:C([H]):C([H]):C([H]):C([H]):C:1N([H])[H])C([H])([H])C1:C([H]):C([H]):C([H]):C([H]):C:1[H]>>[H][N:21]([C@:18]([C:16]([N:15]([C@:12]([C:10]([N:9]([C@@:8]([C:7]([C:6]([C:5]([N:4]([C:2](=[N:1][H:129])[N:3]([H:72])[H:73])[H:128])([H:126])[H:127])([H:124])[H:125])([H:122])[H:123])([C:53](=[O:54])[N:55]([C:56]([C:57]([N:58]([C:59]1:[C:60]([H:112]):[C:61]([H:113]):[C:62]([N+:63](=[O:64])[O-:65]):[C:66]([H:114]):[C:67]:1[N+:68](=[O:69])[O-:70])[H:115])([H:116])[H:117])([H:118])[H:119])[H:120])[H:121])[H:111])=[O:11])([C:13]([O:14][H:74])([H:75])[H:76])[H:110])[H:109])=[O:17])([C:19]([O:20][H:77])([H:78])[H:79])[H:108])[H:107]

EVODEX.1-P4944

[H]N=C(N([H])[H])N([H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C(=O)[N:32]([C:33]([C:34](=[O:35])[O:36][H:56])([H:57])[H:58])[H:59])N([H])C(=O)[C@@]([H])(N([H])C(=O)C1:C([H]):C([H]):C([H]):C([H]):C:1N([H])[H])C([H])([H])C1:C([H]):C([H]):C([H]):C([H]):C:1[H]>>[H][N:32]([C:33]([C:34](=[O:35])[O:36][H:56])([H:57])[H:58])[H:59]

EVODEX.1-P4945

[H]N=C(N([H])[H])N([H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C(=O)[N:6]([C@@:5]([C:4]([C:3]([S:2][C:1]([H:76])([H:77])[H:78])([H:74])[H:75])([H:72])[H:73])([C:38](=[O:39])[O:40][H:70])[H:71])[H:69])N([H])C(=O)[C@@]([H])(N([H])C(=O)C1:C([H]):C([H]):C([H]):C([H]):C:1N([H])[H])C([H])([H])C1:C([H]):C([H]):C([H]):C([H]):C:1[H]>>[H][N:6]([C@@:5]([C:4]([C:3]([S:2][C:1]([H:76])([H:77])[H:78])([H:74])[H:75])([H:72])[H:73])([C:38](=[O:39])[O:40][H:70])[H:71])[H:69]

EVODEX.1-P4943

[H]N=C(N([H])[H])N([H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C(=O)[N:32]([C@@:33]([C:34]([S:35][H:58])([H:59])[H:60])([C:36](=[O:37])[O:38][H:61])[H:62])[H:63])N([H])C(=O)[C@@]([H])(N([H])C(=O)C1:C([H]):C([H]):C([H]):C([H]):C:1N([H])[H])C([H])([H])C1:C([H]):C([H]):C([H]):C([H]):C:1[H]>>[H][N:32]([C@@:33]([C:34]([S:35][H:58])([H:59])[H:60])([C:36](=[O:37])[O:38][H:61])[H:62])[H:63]

EVODEX.1-P4999

[H]N=C(N([H])[H])N([H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C(=O)[N:6]([C@@:5]([C:4]([C:2]([C:1]([H:140])([H:141])[H:142])([C:3]([H:75])([H:76])[H:77])[H:139])([H:137])[H:138])([C:38](=[O:39])[N:40]([C@:41]([C:42](=[O:43])[N:44]([C@@:45]([C:46]([C:47]([C:48]([N:49]([C:50](=[N:51][H:106])[N:52]([H:107])[H:108])[H:109])([H:110])[H:111])([H:112])[H:113])([H:114])[H:115])([C:53](=[O:54])[N:55]([C:56]([C:57]([N:58]([C:59]1:[C:60]([H:116]):[C:61]([H:117]):[C:62]([N+:63](=[O:64])[O-:65]):[C:66]([H:118]):[C:67]:1[N+:68](=[O:69])[O-:70])[H:119])([H:120])[H:121])([H:122])[H:123])[H:124])[H:125])[H:126])([C:71]([C:72]([H:127])([H:128])[H:129])([C:73]([H:130])([H:131])[H:132])[H:133])[H:134])[H:135])[H:136])[H:105])N([H])C(=O)[C@@]([H])(N([H])C(=O)C1:C([H]):C([H]):C([H]):C([H]):C:1N([H])[H])C([H])([H])C1:C([H]):C([H]):C([H]):C([H]):C:1[H]>>[H][N:6]([C@@:5]([C:4]([C:2]([C:1]([H:140])([H:141])[H:142])([C:3]([H:75])([H:76])[H:77])[H:139])([H:137])[H:138])([C:38](=[O:39])[N:40]([C@:41]([C:42](=[O:43])[N:44]([C@@:45]([C:46]([C:47]([C:48]([N:49]([C:50](=[N:51][H:106])[N:52]([H:107])[H:108])[H:109])([H:110])[H:111])([H:112])[H:113])([H:114])[H:115])([C:53](=[O:54])[N:55]([C:56]([C:57]([N:58]([C:59]1:[C:60]([H:116]):[C:61]([H:117]):[C:62]([N+:63](=[O:64])[O-:65]):[C:66]([H:118]):[C:67]:1[N+:68](=[O:69])[O-:70])[H:119])([H:120])[H:121])([H:122])[H:123])[H:124])[H:125])[H:126])([C:71]([C:72]([H:127])([H:128])[H:129])([C:73]([H:130])([H:131])[H:132])[H:133])[H:134])[H:135])[H:136])[H:105]