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:35]([C@@:29]([N:28]([C:26]([C@@:21]([N:20]([C:18]([C@:5]([C:4]([C:2]([C:1]([H:117])([H:118])[H:119])([C:3]([H:60])([H:61])[H:62])[H:116])([H:114])[H:115])([N:6]([C:7](=[O:8])[C@:9]([C:10]([H:63])([H:64])[H:65])([N:11]([C:12](=[O:13])[C@@:14]([N:15]([H:66])[H:67])([C:16]([O:17][H:68])([H:69])[H:70])[H:71])[H:72])[H:73])[H:74])[H:113])=[O:19])[H:112])([C:22]([C:23]([C:24]([H:75])([H:76])[H:77])([C:25]([H:78])([H:79])[H:80])[H:81])([H:82])[H:83])[H:111])=[O:27])[H:110])([C:30]([C:31]([C:32]([N:33]([H:84])[H:85])=[O:34])([H:86])[H:87])([H:88])[H:89])[H:109])=[O:36]>>[H]O[C:35]([C@@:29]([N:28]([C:26]([C@@:21]([N:20]([C:18]([C@:5]([C:4]([C:2]([C:1]([H:117])([H:118])[H:119])([C:3]([H:60])([H:61])[H:62])[H:116])([H:114])[H:115])([N:6]([C:7](=[O:8])[C@:9]([C:10]([H:63])([H:64])[H:65])([N:11]([C:12](=[O:13])[C@@:14]([N:15]([H:66])[H:67])([C:16]([O:17][H:68])([H:69])[H:70])[H:71])[H:72])[H:73])[H:74])[H:113])=[O:19])[H:112])([C:22]([C:23]([C:24]([H:75])([H:76])[H:77])([C:25]([H:78])([H:79])[H:80])[H:81])([H:82])[H:83])[H:111])=[O:27])[H:110])([C:30]([C:31]([C:32]([N:33]([H:84])[H:85])=[O:34])([H:86])[H:87])([H:88])[H:89])[H:109])=[O:36]
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-R6002
[C:1]([C:2]([C:3]([H:60])([H:61])[H:62])([C:4]([C@:5]([N:6]([C:7](=[O:8])[C@:9]([C:10]([H:63])([H:64])[H:65])([N:11]([C:12](=[O:13])[C@@:14]([N:15]([H:66])[H:67])([C:16]([O:17][H:68])([H:69])[H:70])[H:71])[H:72])[H:73])[H:74])([C:18](=[O:19])[N:20]([C@@:21]([C:22]([C:23]([C:24]([H:75])([H:76])[H:77])([C:25]([H:78])([H:79])[H:80])[H:81])([H:82])[H:83])([C:26](=[O:27])[N:28]([C@@:29]([C:30]([C:31]([C:32]([N:33]([H:84])[H:85])=[O:34])([H:86])[H:87])([H:88])[H:89])([C:35](=[O:36])[N:37]([C@@:38]([C:39]([O:40][H:90])([H:91])[H:92])([C:41](=[O:42])[N:43]([C:44]([C:45](=[O:46])[N:47]([C@@:48]([C:49]([C:50]1:[C:51]([H:93]):[C:52]([H:94]):[C:53]([H:95]):[C:54]([H:96]):[C:55]:1[H:97])([H:98])[H:99])([C:56]([N:57]([H:100])[H:101])=[O:58])[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:115])[H:116])([H:117])([H:118])[H:119].[H][O:59][H:120]>>[C:1]([C:2]([C:3]([H:60])([H:61])[H:62])([C:4]([C@:5]([N:6]([C:7](=[O:8])[C@:9]([C:10]([H:63])([H:64])[H:65])([N:11]([C:12](=[O:13])[C@@:14]([N:15]([H:66])[H:67])([C:16]([O:17][H:68])([H:69])[H:70])[H:71])[H:72])[H:73])[H:74])([C:18](=[O:19])[N:20]([C@@:21]([C:22]([C:23]([C:24]([H:75])([H:76])[H:77])([C:25]([H:78])([H:79])[H:80])[H:81])([H:82])[H:83])([C:26](=[O:27])[N:28]([C@@:29]([C:30]([C:31]([C:32]([N:33]([H:84])[H:85])=[O:34])([H:86])[H:87])([H:88])[H:89])([C:35](=[O:36])[O:59][H:120])[H:109])[H:110])[H:111])[H:112])[H:113])([H:114])[H:115])[H:116])([H:117])([H:118])[H:119].[H][N:37]([C@@:38]([C:39]([O:40][H:90])([H:91])[H:92])([C:41](=[O:42])[N:43]([C:44]([C:45](=[O:46])[N:47]([C@@:48]([C:49]([C:50]1:[C:51]([H:93]):[C:52]([H:94]):[C:53]([H:95]):[C:54]([H:96]):[C:55]:1[H:97])([H:98])[H:99])([C:56]([N:57]([H:100])[H:101])=[O:58])[H:102])[H:103])([H:104])[H:105])[H:106])[H:107])[H:108]