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:30]([C@@:24]([N:23]([C:21]([C@@:20]([N:19]([C:17]([C@:4]([C:2]([C:1]([H:111])([H:112])[H:113])([C:3]([H:58])([H:59])[H:60])[H:110])([N:5]([C:6](=[O:7])[C@:8]([C:9]([H:61])([H:62])[H:63])([N:10]([C:11](=[O:12])[C@@:13]([N:14]([H:64])[H:65])([C:15]([O:16][H:66])([H:67])[H:68])[H:69])[H:70])[H:71])[H:72])[H:109])=[O:18])[H:108])([C:54]([C:55]([H:100])([H:101])[H:102])([C:56]([H:103])([H:104])[H:105])[H:106])[H:107])=[O:22])[H:99])([C:25]([C:26]([C:27]([N:28]([H:73])[H:74])=[O:29])([H:75])[H:76])([H:77])[H:78])[H:98])=[O:31]>>[H]O[C:30]([C@@:24]([N:23]([C:21]([C@@:20]([N:19]([C:17]([C@:4]([C:2]([C:1]([H:111])([H:112])[H:113])([C:3]([H:58])([H:59])[H:60])[H:110])([N:5]([C:6](=[O:7])[C@:8]([C:9]([H:61])([H:62])[H:63])([N:10]([C:11](=[O:12])[C@@:13]([N:14]([H:64])[H:65])([C:15]([O:16][H:66])([H:67])[H:68])[H:69])[H:70])[H:71])[H:72])[H:109])=[O:18])[H:108])([C:54]([C:55]([H:100])([H:101])[H:102])([C:56]([H:103])([H:104])[H:105])[H:106])[H:107])=[O:22])[H:99])([C:25]([C:26]([C:27]([N:28]([H:73])[H:74])=[O:29])([H:75])[H:76])([H:77])[H:78])[H:98])=[O:31]
Derived Operators
EVODEX.1-F516 - Elemental Balance
| O | -3 |
| C | -14 |
| N | -4 |
| H | -18 |
EVODEX.1-M489 - Mass Difference
-290.13804
EVODEX.1-E1334 - 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]>>[#6:37](-[#6@@:31])(=[#8:38])-[#8]-[H]
EVODEX.1-C655 - 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]-[#6:37]
EVODEX.1-N811 - 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]-[#6:37](-[#6@@:31])=[#8:38]
EVODEX.1-Em3 - Reaction Operator Em
[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43]>>[H]-[#8]-[#6:42](-[#6:40])=[#8:43]
EVODEX.1-Nm3 - Reaction Operator Nm
[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43]>>[H]-[#8]-[#6:42](-[#6:40])=[#8:43]
Source Full Reactions
EVODEX.1-R6009
[C:1]([C:2]([C:3]([H:58])([H:59])[H:60])([C@:4]([N:5]([C:6](=[O:7])[C@:8]([C:9]([H:61])([H:62])[H:63])([N:10]([C:11](=[O:12])[C@@:13]([N:14]([H:64])[H:65])([C:15]([O:16][H:66])([H:67])[H:68])[H:69])[H:70])[H:71])[H:72])([C:17](=[O:18])[N:19]([C@:20]([C:21](=[O:22])[N:23]([C@@:24]([C:25]([C:26]([C:27]([N:28]([H:73])[H:74])=[O:29])([H:75])[H:76])([H:77])[H:78])([C:30](=[O:31])[N:32]([C@@:33]([C:34]([O:35][H:79])([H:80])[H:81])([C:36](=[O:37])[N:38]([C:39]([C:40](=[O:41])[N:42]([C@@:43]([C:44]([C:45]1:[C:46]([H:82]):[C:47]([H:83]):[C:48]([H:84]):[C:49]([H:85]):[C:50]:1[H:86])([H:87])[H:88])([C:51]([N:52]([H:89])[H:90])=[O:53])[H:91])[H:92])([H:93])[H:94])[H:95])[H:96])[H:97])[H:98])[H:99])([C:54]([C:55]([H:100])([H:101])[H:102])([C:56]([H:103])([H:104])[H:105])[H:106])[H:107])[H:108])[H:109])[H:110])([H:111])([H:112])[H:113].[H][O:57][H:114]>>[C:1]([C:2]([C:3]([H:58])([H:59])[H:60])([C@:4]([N:5]([C:6](=[O:7])[C@:8]([C:9]([H:61])([H:62])[H:63])([N:10]([C:11](=[O:12])[C@@:13]([N:14]([H:64])[H:65])([C:15]([O:16][H:66])([H:67])[H:68])[H:69])[H:70])[H:71])[H:72])([C:17](=[O:18])[N:19]([C@:20]([C:21](=[O:22])[N:23]([C@@:24]([C:25]([C:26]([C:27]([N:28]([H:73])[H:74])=[O:29])([H:75])[H:76])([H:77])[H:78])([C:30](=[O:31])[O:57][H:114])[H:98])[H:99])([C:54]([C:55]([H:100])([H:101])[H:102])([C:56]([H:103])([H:104])[H:105])[H:106])[H:107])[H:108])[H:109])[H:110])([H:111])([H:112])[H:113].[H][N:32]([C@@:33]([C:34]([O:35][H:79])([H:80])[H:81])([C:36](=[O:37])[N:38]([C:39]([C:40](=[O:41])[N:42]([C@@:43]([C:44]([C:45]1:[C:46]([H:82]):[C:47]([H:83]):[C:48]([H:84]):[C:49]([H:85]):[C:50]:1[H:86])([H:87])[H:88])([C:51]([N:52]([H:89])[H:90])=[O:53])[H:91])[H:92])([H:93])[H:94])[H:95])[H:96])[H:97]