EVODEX.1-N333

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]-[#6:9](-[#6:8])=[#8:10])-[#8]-[#6@@]-1(-[H])-[#7]1:[#6](-[H]):[#7]:[#6]2:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:1:2>>[H]-[#8]-[#6](=[#8])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[#7](-[H])-[#6:9](-[#6:8])=[#8:10]

Source Partial Reactions

EVODEX.1-P1535

[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:9]([C:8](=[C:7]([C:6]2:[C:5]([H:74]):[C:4]([H:73]):[C:3]([O:2][C:1]([H:116])([H:117])[H:118]):[C:62]([H:115]):[C:59]:2[O:60][C:61]([H:112])([H:113])[H:114])[H:111])[H:110])=[O:10])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1>>[H]OC(=O)C1:C([H]):C([H]):C([H]):C([H]):C:1N([H])[C:9]([C:8](=[C:7]([C:6]1:[C:5]([H:74]):[C:4]([H:73]):[C:3]([O:2][C:1]([H:116])([H:117])[H:118]):[C:62]([H:115]):[C:59]:1[O:60][C:61]([H:112])([H:113])[H:114])[H:111])[H:110])=[O:10]

EVODEX.1-P1540

[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:8]([C:7](=[C:6]([C:5]2:[C:4]([H:75]):[C:3]([O:2][C:1]([H:120])([H:121])[H:122]):[C:62]([O:63][C:64]([H:117])([H:118])[H:119]):[C:59]([O:60][C:61]([H:114])([H:115])[H:116]):[C:58]:2[H:113])[H:112])[H:111])=[O:9])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1>>[H]OC(=O)C1:C([H]):C([H]):C([H]):C([H]):C:1N([H])[C:8]([C:7](=[C:6]([C:5]1:[C:4]([H:75]):[C:3]([O:2][C:1]([H:120])([H:121])[H:122]):[C:62]([O:63][C:64]([H:117])([H:118])[H:119]):[C:59]([O:60][C:61]([H:114])([H:115])[H:116]):[C:58]:1[H:113])[H:112])[H:111])=[O:9]

EVODEX.1-P1544

[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](=[C:52]([C:53]2:[C:54]([H:91]):[C:55]([H:92]):[C:56]([H:93]):[C:57]([O:58][H:94]):[C:59]:2[H:95])[H:96])[H:97])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1>>[H]OC(=O)C1:C([H]):C([H]):C([H]):C([H]):C:1N([H])[C:49](=[O:50])[C:51](=[C:52]([C:53]1:[C:54]([H:91]):[C:55]([H:92]):[C:56]([H:93]):[C:57]([O:58][H:94]):[C:59]:1[H:95])[H:96])[H:97]

EVODEX.1-P1552

[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:10]([C:9](=[C:8]([C:7]2:[C:6]([H:73]):[C:5]([H:72]):[C:4]([H:71]):[C:3]([O:2][C:1]([H:112])([H:113])[H:114]):[C:60]:2[H:111])[H:110])[H:109])=[O:11])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1>>[H]OC(=O)C1:C([H]):C([H]):C([H]):C([H]):C:1N([H])[C:10]([C:9](=[C:8]([C:7]1:[C:6]([H:73]):[C:5]([H:72]):[C:4]([H:71]):[C:3]([O:2][C:1]([H:112])([H:113])[H:114]):[C:60]:1[H:111])[H:110])[H:109])=[O:11]

EVODEX.1-P1555

[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:9]([C:8](=[C:7]([C:6]2:[C:5]([H:72]):[C:4]([H:71]):[C:3]([O:2][C:1]([H:112])([H:113])[H:114]):[C:60]([H:111]):[C:59]:2[H:110])[H:109])[H:108])=[O:10])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1>>[H]OC(=O)C1:C([H]):C([H]):C([H]):C([H]):C:1N([H])[C:9]([C:8](=[C:7]([C:6]1:[C:5]([H:72]):[C:4]([H:71]):[C:3]([O:2][C:1]([H:112])([H:113])[H:114]):[C:60]([H:111]):[C:59]:1[H:110])[H:109])[H:108])=[O:10]