SMIRKS
[H]OC([H])([H])[C@@]([H])(C(=O)N([H])C([H])([H])C(=O)N([H])[C@]([H])(C(=O)N([H])[H])C([H])([H])C1:C([H]):C([H]):C([H]):C([H]):C:1[H])N([H])[C:34]([C@@:28]([N:27]([C:25]([C@:5]([C:4]([C:2]([C:1]([H:112])([H:113])[H:114])([C:3]([H:59])([H:60])[H:61])[H:111])([H:109])[H:110])([N:6]([C:7](=[O:8])[C@@:9]([N:10]([C:11](=[O:12])[C@:13]([C:14]([H:62])([H:63])[H:64])([N:15]([C:16](=[O:17])[C@@:18]([N:19]([H:65])[H:66])([C:20]([O:21][H:67])([H:68])[H:69])[H:70])[H:71])[H:72])[H:73])([C@@:22]([C:23]([H:74])([H:75])[H:76])([O:24][H:77])[H:78])[H:79])[H:80])[H:108])=[O:26])[H:107])([C:29]([C:30]([C:31]([N:32]([H:81])[H:82])=[O:33])([H:83])[H:84])([H:85])[H:86])[H:106])=[O:35].[H][O:58][H:115]>>[C:1]([C:2]([C:3]([H:59])([H:60])[H:61])([C:4]([C@:5]([N:6]([C:7](=[O:8])[C@@:9]([N:10]([C:11](=[O:12])[C@:13]([C:14]([H:62])([H:63])[H:64])([N:15]([C:16](=[O:17])[C@@:18]([N:19]([H:65])[H:66])([C:20]([O:21][H:67])([H:68])[H:69])[H:70])[H:71])[H:72])[H:73])([C@@:22]([C:23]([H:74])([H:75])[H:76])([O:24][H:77])[H:78])[H:79])[H:80])([C:25](=[O:26])[N:27]([C@@:28]([C:29]([C:30]([C:31]([N:32]([H:81])[H:82])=[O:33])([H:83])[H:84])([H:85])[H:86])([C:34](=[O:35])[O:58][H:115])[H:106])[H:107])[H:108])([H:109])[H:110])[H:111])([H:112])([H:113])[H:114]
Derived Operators
EVODEX.1-F515 - Elemental Balance
| O | -4 |
| C | -14 |
| N | -4 |
| H | -20 |
EVODEX.1-M488 - Mass Difference
-308.14860000000004
EVODEX.1-E1333 - Reaction Operator E
[#6:37](-[#6@@:31])(=[#8:38])-[#7](-[#6@@](-[#6](-[#8]-[H])(-[H])-[H])(-[#6](=[#8])-[#7](-[#6](-[#6](=[#8])-[#7](-[#6@@](-[#6](-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])(-[H])-[H])(-[#6](-[#7](-[H])-[H])=[#8])-[H])-[H])(-[H])-[H])-[H])-[H])-[H].[#8:61](-[H:126])-[H]>>[#6:37](-[#6@@:31])(=[#8:38])-[#8:61]-[H:126]
EVODEX.1-C656 - Reaction Operator C
[H]-[#8]-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[#6@](-[H])(-[#6](=[#8])-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])-[#7](-[H])-[#6:37].[H]-[#8:61]>>[#6:37]-[#8:61]
EVODEX.1-N812 - Reaction Operator N
[H]-[#8]-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[#6@](-[H])(-[#6](=[#8])-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])-[#7](-[H])-[#6:37](-[#6@@:31])=[#8:38].[H]-[#8:61]-[H:121]>>[#6:37](-[#6@@:31])(=[#8:38])-[#8:61]-[H:121]
EVODEX.1-Em2 - Reaction Operator Em
[H]-[#7](-[#6])-[#6:4](-[#6:3])=[#8:5].[H]-[#8:13]>>[#6:3]-[#6:4](=[#8:5])-[#8:13]
EVODEX.1-Nm2 - Reaction Operator Nm
[H]-[#7](-[#6])-[#6:4](-[#6:3])=[#8:5].[H]-[#8:13]>>[#6:3]-[#6:4](=[#8:5])-[#8:13]
Source Full Reactions
EVODEX.1-R6003
[C:1]([C:2]([C:3]([H:59])([H:60])[H:61])([C:4]([C@:5]([N:6]([C:7](=[O:8])[C@@:9]([N:10]([C:11](=[O:12])[C@:13]([C:14]([H:62])([H:63])[H:64])([N:15]([C:16](=[O:17])[C@@:18]([N:19]([H:65])[H:66])([C:20]([O:21][H:67])([H:68])[H:69])[H:70])[H:71])[H:72])[H:73])([C@@:22]([C:23]([H:74])([H:75])[H:76])([O:24][H:77])[H:78])[H:79])[H:80])([C:25](=[O:26])[N:27]([C@@:28]([C:29]([C:30]([C:31]([N:32]([H:81])[H:82])=[O:33])([H:83])[H:84])([H:85])[H:86])([C:34](=[O:35])[N:36]([C@@:37]([C:38]([O:39][H:87])([H:88])[H:89])([C:40](=[O:41])[N:42]([C:43]([C:44](=[O:45])[N:46]([C@@:47]([C:48]([C:49]1:[C:50]([H:90]):[C:51]([H:91]):[C:52]([H:92]):[C:53]([H:93]):[C:54]:1[H:94])([H:95])[H:96])([C:55]([N:56]([H:97])[H:98])=[O:57])[H:99])[H:100])([H:101])[H:102])[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][O:58][H:115]>>[C:1]([C:2]([C:3]([H:59])([H:60])[H:61])([C:4]([C@:5]([N:6]([C:7](=[O:8])[C@@:9]([N:10]([C:11](=[O:12])[C@:13]([C:14]([H:62])([H:63])[H:64])([N:15]([C:16](=[O:17])[C@@:18]([N:19]([H:65])[H:66])([C:20]([O:21][H:67])([H:68])[H:69])[H:70])[H:71])[H:72])[H:73])([C@@:22]([C:23]([H:74])([H:75])[H:76])([O:24][H:77])[H:78])[H:79])[H:80])([C:25](=[O:26])[N:27]([C@@:28]([C:29]([C:30]([C:31]([N:32]([H:81])[H:82])=[O:33])([H:83])[H:84])([H:85])[H:86])([C:34](=[O:35])[O:58][H:115])[H:106])[H:107])[H:108])([H:109])[H:110])[H:111])([H:112])([H:113])[H:114].[H][N:36]([C@@:37]([C:38]([O:39][H:87])([H:88])[H:89])([C:40](=[O:41])[N:42]([C:43]([C:44](=[O:45])[N:46]([C@@:47]([C:48]([C:49]1:[C:50]([H:90]):[C:51]([H:91]):[C:52]([H:92]):[C:53]([H:93]):[C:54]:1[H:94])([H:95])[H:96])([C:55]([N:56]([H:97])[H:98])=[O:57])[H:99])[H:100])([H:101])[H:102])[H:103])[H:104])[H:105]