EVODEX.1-C628

SMIRKS

[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7](-[H])-[#6@](-[H])(-[#6](=[#8])-[#7:45])-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@]1(-[H])-[#7](-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6]-1(-[H])-[H])-[#6@@](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H]>>[H]-[#7:45]

Source Partial Reactions

EVODEX.1-P4990

[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(C(=O)N([H])[C@]([H])(C(=O)[N:45]([C@@:46]([C:47]([C:48]1:[C:49]([H:113]):[C:50]([H:114]):[C:51]([N+:52](=[O:53])[O-:54]):[C:55]([H:115]):[C:56]:1[H:116])([H:117])[H:118])([C:57](=[O:58])[N:59]([C@@:60]([C:61]([C:62](=[O:63])[O:64][H:119])([H:120])[H:121])([C:65](=[O:66])[N:67]([C@@:68]([C:69]([C:70]([C:71]([H:122])([H:123])[H:124])([C:72]([H:125])([H:126])[H:127])[H:128])([H:129])[H:130])([C:73](=[O:74])[O:75][H:131])[H:132])[H:133])[H:134])[H:135])[H:136])[H:137])C([H])([H])C1:C([H]):C([H]):C([H]):C([H]):C:1[H])N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]1([H])N(C(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H])C([H])([H])C([H])([H])C1([H])[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H]>>[H][N:45]([C@@:46]([C:47]([C:48]1:[C:49]([H:113]):[C:50]([H:114]):[C:51]([N+:52](=[O:53])[O-:54]):[C:55]([H:115]):[C:56]:1[H:116])([H:117])[H:118])([C:57](=[O:58])[N:59]([C@@:60]([C:61]([C:62](=[O:63])[O:64][H:119])([H:120])[H:121])([C:65](=[O:66])[N:67]([C@@:68]([C:69]([C:70]([C:71]([H:122])([H:123])[H:124])([C:72]([H:125])([H:126])[H:127])[H:128])([H:129])[H:130])([C:73](=[O:74])[O:75][H:131])[H:132])[H:133])[H:134])[H:135])[H:136])[H:137]

EVODEX.1-P4991

[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(C(=O)N([H])[C@]([H])(C(=O)[N:45]([C@@:46]([C:47]([C:48]1:[C:49]([H:113]):[C:50]([H:114]):[C:51]([N+:52](=[O:53])[O-:54]):[C:55]([H:115]):[C:56]:1[H:116])([H:117])[H:118])([C:57](=[O:58])[N:59]([C@@:60]([C:61]([C:62]([N:63]([H:119])[H:120])=[O:64])([H:121])[H:122])([C:65](=[O:66])[N:67]([C@@:68]([C:69]([C:70]([C:71]([H:123])([H:124])[H:125])([C:72]([H:126])([H:127])[H:128])[H:129])([H:130])[H:131])([C:73](=[O:74])[O:75][H:132])[H:133])[H:134])[H:135])[H:136])[H:137])[H:138])C([H])([H])C1:C([H]):C([H]):C([H]):C([H]):C:1[H])N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]1([H])N(C(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H])C([H])([H])C([H])([H])C1([H])[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H]>>[H][N:45]([C@@:46]([C:47]([C:48]1:[C:49]([H:113]):[C:50]([H:114]):[C:51]([N+:52](=[O:53])[O-:54]):[C:55]([H:115]):[C:56]:1[H:116])([H:117])[H:118])([C:57](=[O:58])[N:59]([C@@:60]([C:61]([C:62]([N:63]([H:119])[H:120])=[O:64])([H:121])[H:122])([C:65](=[O:66])[N:67]([C@@:68]([C:69]([C:70]([C:71]([H:123])([H:124])[H:125])([C:72]([H:126])([H:127])[H:128])[H:129])([H:130])[H:131])([C:73](=[O:74])[O:75][H:132])[H:133])[H:134])[H:135])[H:136])[H:137])[H:138]

EVODEX.1-P4992

[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(C(=O)N([H])[C@]([H])(C(=O)[N:45]([C@@:46]([C:47]([C:48]1:[C:49]([H:112]):[C:50]([H:113]):[C:51]([N+:52](=[O:53])[O-:54]):[C:55]([H:114]):[C:56]:1[H:115])([H:116])[H:117])([C:57](=[O:58])[N:59]([C@:60]([C:61](=[O:62])[N:63]([C@@:64]([C:65]([C:66]([C:67]([H:118])([H:119])[H:120])([C:68]([H:121])([H:122])[H:123])[H:124])([H:125])[H:126])([C:69](=[O:70])[O:71][H:127])[H:128])[H:129])([C:72]([C:73]([H:130])([H:131])[H:132])([C:74]([H:133])([H:134])[H:135])[H:136])[H:137])[H:138])[H:139])[H:140])C([H])([H])C1:C([H]):C([H]):C([H]):C([H]):C:1[H])N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]1([H])N(C(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H])C([H])([H])C([H])([H])C1([H])[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H]>>[H][N:45]([C@@:46]([C:47]([C:48]1:[C:49]([H:112]):[C:50]([H:113]):[C:51]([N+:52](=[O:53])[O-:54]):[C:55]([H:114]):[C:56]:1[H:115])([H:116])[H:117])([C:57](=[O:58])[N:59]([C@:60]([C:61](=[O:62])[N:63]([C@@:64]([C:65]([C:66]([C:67]([H:118])([H:119])[H:120])([C:68]([H:121])([H:122])[H:123])[H:124])([H:125])[H:126])([C:69](=[O:70])[O:71][H:127])[H:128])[H:129])([C:72]([C:73]([H:130])([H:131])[H:132])([C:74]([H:133])([H:134])[H:135])[H:136])[H:137])[H:138])[H:139])[H:140]

EVODEX.1-P4993

[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(C(=O)N([H])[C@]([H])(C(=O)[N:45]([C@@:46]([C:47]([C:48]1:[C:49]([H:116]):[C:50]([H:117]):[C:51]([N+:52](=[O:53])[O-:54]):[C:55]([H:118]):[C:56]:1[H:119])([H:120])[H:121])([C:57](=[O:58])[N:59]([C@@:60]([C:61]([C:62]([C:63]([N:64]([C:65](=[N:66][H:122])[N:67]([H:123])[H:124])[H:125])([H:126])[H:127])([H:128])[H:129])([H:130])[H:131])([C:68](=[O:69])[N:70]([C@@:71]([C:72]([C:73](=[O:74])[O:75][H:132])([H:133])[H:134])([C:76](=[O:77])[O:78][H:135])[H:136])[H:137])[H:138])[H:139])[H:140])[H:141])C([H])([H])C1:C([H]):C([H]):C([H]):C([H]):C:1[H])N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]1([H])N(C(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H])C([H])([H])C([H])([H])C1([H])[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H]>>[H][N:45]([C@@:46]([C:47]([C:48]1:[C:49]([H:116]):[C:50]([H:117]):[C:51]([N+:52](=[O:53])[O-:54]):[C:55]([H:118]):[C:56]:1[H:119])([H:120])[H:121])([C:57](=[O:58])[N:59]([C@@:60]([C:61]([C:62]([C:63]([N:64]([C:65](=[N:66][H:122])[N:67]([H:123])[H:124])[H:125])([H:126])[H:127])([H:128])[H:129])([H:130])[H:131])([C:68](=[O:69])[N:70]([C@@:71]([C:72]([C:73](=[O:74])[O:75][H:132])([H:133])[H:134])([C:76](=[O:77])[O:78][H:135])[H:136])[H:137])[H:138])[H:139])[H:140])[H:141]

EVODEX.1-P4994

[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(C(=O)N([H])[C@]([H])(C(=O)[N:45]([C@@:46]([C:47]([C:48]1:[C:49]([H:119]):[C:50]([H:120]):[C:51]([N+:52](=[O:53])[O-:54]):[C:55]([H:121]):[C:56]:1[H:122])([H:123])[H:124])([C:57](=[O:58])[N:59]([C@@:60]([C:61]([C:62]([C:63]([N:64]([C:65](=[N:66][H:125])[N:67]([H:126])[H:127])[H:128])([H:129])[H:130])([H:131])[H:132])([H:133])[H:134])([C:68](=[O:69])[N:70]([C@@:71]([C:72]([C:73]([C:74]([N:75]([C:76](=[N:77][H:135])[N:78]([H:136])[H:137])[H:138])([H:139])[H:140])([H:141])[H:142])([H:143])[H:144])([C:79](=[O:80])[O:81][H:145])[H:146])[H:147])[H:148])[H:149])[H:150])[H:151])C([H])([H])C1:C([H]):C([H]):C([H]):C([H]):C:1[H])N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]1([H])N(C(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H])C([H])([H])C([H])([H])C1([H])[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H]>>[H][N:45]([C@@:46]([C:47]([C:48]1:[C:49]([H:119]):[C:50]([H:120]):[C:51]([N+:52](=[O:53])[O-:54]):[C:55]([H:121]):[C:56]:1[H:122])([H:123])[H:124])([C:57](=[O:58])[N:59]([C@@:60]([C:61]([C:62]([C:63]([N:64]([C:65](=[N:66][H:125])[N:67]([H:126])[H:127])[H:128])([H:129])[H:130])([H:131])[H:132])([H:133])[H:134])([C:68](=[O:69])[N:70]([C@@:71]([C:72]([C:73]([C:74]([N:75]([C:76](=[N:77][H:135])[N:78]([H:136])[H:137])[H:138])([H:139])[H:140])([H:141])[H:142])([H:143])[H:144])([C:79](=[O:80])[O:81][H:145])[H:146])[H:147])[H:148])[H:149])[H:150])[H:151]