EVODEX.1-C121

SMIRKS

[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]-[#6:5]-[#6:4]-[H])-[#8]-[#6@@]-1(-[H])-[#7]1:[#6](-[H]):[#7]:[#6]2:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:1:2.[#6:60]=[#8:61]>>[H]-[#8]-[#6:5]-[#6:4]-[#6:60]-[#8:61]-[H]

Source Partial Reactions

EVODEX.1-P2179

[C:1]([C:2]([C:3]([H:63])([H:64])[H:65])([C:4](=[O:5])[C:6](=[O:7])[O:8][H:66])[H:67])([H:68])([H:69])[H:70].[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:12]([C:11]([H])([C:10]([C:9]([H:110])([H:111])[H:112])([H:108])[H:109])[H:106])=[O:13])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1>>[H]O[C:12]([C:11]([C:4]([C:2]([C:1]([H:68])([H:69])[H:70])([C:3]([H:63])([H:64])[H:65])[H:67])([O:5][H])[C:6](=[O:7])[O:8][H:66])([C:10]([C:9]([H:110])([H:111])[H:112])([H:108])[H:109])[H:106])=[O:13]

EVODEX.1-P2180

[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:49](=[O:50])[C:51]([H])([C:52](=[O:53])[O:54][H:85])[H:86])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1.[C:55]([C:56]([C:57]([H:102])([H:103])[H:104])([C:58](=[O:59])[C:60](=[O:61])[O:62][H:105])[H:106])([H:107])([H:108])[H:109]>>[H]O[C:49](=[O:50])[C:51]([C:52](=[O:53])[O:54][H:85])([C:58]([C:56]([C:55]([H:107])([H:108])[H:109])([C:57]([H:102])([H:103])[H:104])[H:106])([O:59][H])[C:60](=[O:61])[O:62][H:105])[H:86]

EVODEX.1-P2183

[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:2]([C:1]([H])([H:98])[H:99])=[O:3])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1.[O:53]=[C:54]([O:55][H:101])[C:56]([C:57]([C:58](=[O:59])[C:60](=[O:61])[O:62][H:102])([H:103])[H:104])([H:105])[H:106]>>[H]O[C:2]([C:1]([C@@:58]([C:57]([C:56]([C:54](=[O:53])[O:55][H:101])([H:105])[H:106])([H:103])[H:104])([O:59][H])[C:60](=[O:61])[O:62][H:102])([H:98])[H:99])=[O:3]

EVODEX.1-P2185

[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:2]([C:1]([H])([H:99])[H:100])=[O:3])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1.[O:53]=[C:54]([O:55][H:102])[C:56]([C:57]([C:58]([C:59](=[O:60])[C:61](=[O:62])[O:63][H:103])([H:104])[H:105])([H:106])[H:107])([H:108])[H:109]>>[H]O[C:2]([C:1]([C:59]([C:58]([C:57]([C:56]([C:54](=[O:53])[O:55][H:102])([H:108])[H:109])([H:106])[H:107])([H:104])[H:105])([O:60][H])[C:61](=[O:62])[O:63][H:103])([H:99])[H:100])=[O:3]

EVODEX.1-P2191

[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:2]([C:1]([H])([H:97])[H:98])=[O:3])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1.[C:52]([S:53][C:54]([C:55]([C:56](=[O:57])[C:58](=[O:59])[O:60][H:100])([H:101])[H:102])([H:103])[H:104])([H:105])([H:106])[H:107]>>[H]O[C:2]([C:1]([C:56]([C:55]([C:54]([S:53][C:52]([H:105])([H:106])[H:107])([H:103])[H:104])([H:101])[H:102])([O:57][H])[C:58](=[O:59])[O:60][H:100])([H:97])[H:98])=[O:3]

EVODEX.1-P2198

[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:2]([C:1]([H])([H:97])[H:98])=[O:3])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1.[C:52]([C:53]([C:54]([C:55]([C:56](=[O:57])[C:58](=[O:59])[O:60][H:100])([H:101])[H:102])([H:103])[H:104])([H:105])[H:106])([H:107])([H:108])[H:109]>>[H]O[C:2]([C:1]([C:56]([C:55]([C:54]([C:53]([C:52]([H:107])([H:108])[H:109])([H:105])[H:106])([H:103])[H:104])([H:101])[H:102])([O:57][H])[C:58](=[O:59])[O:60][H:100])([H:97])[H:98])=[O:3]

EVODEX.1-P2201

[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:2]([C:1]([H])([H:100])[H:101])=[O:3])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1.[C:52]([S:53][C:54]([C:55]([C:56]([C:57]([C:58]([C:59](=[O:60])[C:61](=[O:62])[O:63][H:103])([H:104])[H:105])([H:106])[H:107])([H:108])[H:109])([H:110])[H:111])([H:112])[H:113])([H:114])([H:115])[H:116]>>[H]O[C:2]([C:1]([C:59]([C:58]([C:57]([C:56]([C:55]([C:54]([S:53][C:52]([H:114])([H:115])[H:116])([H:112])[H:113])([H:110])[H:111])([H:108])[H:109])([H:106])[H:107])([H:104])[H:105])([O:60][H])[C:61](=[O:62])[O:63][H:103])([H:100])[H:101])=[O:3]

EVODEX.1-P2209

[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:14]([C:13]([H])([C:12]([C:11]([C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:133])([H:134])[H:135])([H:131])[H:132])([H:129])[H:130])([H:127])[H:128])([H:125])[H:126])([H:123])[H:124])([H:121])[H:122])([H:119])[H:120])([H:117])[H:118])([H:115])[H:116])([H:113])[H:114])([H:111])[H:112])[H:109])=[O:15])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1.[O:65]=[C:66]([O:67][H:136])[C:68]([C:69](=[O:70])[C:71](=[O:72])[O:73][H:137])([H:138])[H:139]>>[H]O[C:14]([C@@:13]([C:12]([C:11]([C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:133])([H:134])[H:135])([H:131])[H:132])([H:129])[H:130])([H:127])[H:128])([H:125])[H:126])([H:123])[H:124])([H:121])[H:122])([H:119])[H:120])([H:117])[H:118])([H:115])[H:116])([H:113])[H:114])([H:111])[H:112])([C@:69]([C:68]([C:66](=[O:65])[O:67][H:136])([H:138])[H:139])([O:70][H])[C:71](=[O:72])[O:73][H:137])[H:109])=[O:15]

EVODEX.1-P2212

[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:49](=[O:50])[C:51]([H])([C:52]2:[C:53]([H:89]):[C:54]([H:90]):[C:55]([H:91]):[C:56]([H:92]):[C:57]:2[H:93])[H:94])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1.[O:59]=[C:60]([O:61][H:110])[C:62]([C:63](=[O:64])[C:65](=[O:66])[O:67][H:111])([H:112])[H:113]>>[H]O[C:49](=[O:50])[C:51]([C:52]1:[C:53]([H:89]):[C:54]([H:90]):[C:55]([H:91]):[C:56]([H:92]):[C:57]:1[H:93])([C:63]([C:62]([C:60](=[O:59])[O:61][H:110])([H:112])[H:113])([O:64][H])[C:65](=[O:66])[O:67][H:111])[H:94]

EVODEX.1-P2218

[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]([H])([C:3]([C:2]([C:1]([H:106])([H:107])[H:108])([H:104])[H:105])([H:102])[H:103])[H:100])=[O:6])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1.[O:56]=[C:57]([O:58][H:109])[C:59]([C:60](=[O:61])[C:62](=[O:63])[O:64][H:110])([H:111])[H:112]>>[H]O[C:5]([C:4]([C:3]([C:2]([C:1]([H:106])([H:107])[H:108])([H:104])[H:105])([H:102])[H:103])([C:60]([C:59]([C:57](=[O:56])[O:58][H:109])([H:111])[H:112])([O:61][H])[C:62](=[O:63])[O:64][H:110])[H:100])=[O:6]