SMIRKS
[H]OC([H])([H])[C@]([H])(N([H])[C:22](=[O:23])[C:24]([C:25]([C:26]([C:27]([C:28]([C:29]([C:30]([C:31]([C:32]([C:33]([C:34]([N:35]([C:36]1:[C:37]([H:53]):[C:38]([H:54]):[C:39]([N+:40](=[O:41])[O-:42]):[C:43]2:[N:44]:[O:45]:[N:46]:[C:47]:1:2)[H:55])([H:56])[H:57])([H:58])[H:59])([H:60])[H:61])([H:62])[H:63])([H:64])[H:65])([H:66])[H:67])([H:68])[H:69])([H:70])[H:71])([H:72])[H:73])([H:74])[H:75])([H:76])[H:77])[C@]([H])(O[H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H].[H][O:48][H:110]>>[C:22](=[O:23])([C:24]([C:25]([C:26]([C:27]([C:28]([C:29]([C:30]([C:31]([C:32]([C:33]([C:34]([N:35]([C:36]1:[C:37]([H:53]):[C:38]([H:54]):[C:39]([N+:40](=[O:41])[O-:42]):[C:43]2:[N:44]:[O:45]:[N:46]:[C:47]:1:2)[H:55])([H:56])[H:57])([H:58])[H:59])([H:60])[H:61])([H:62])[H:63])([H:64])[H:65])([H:66])[H:67])([H:68])[H:69])([H:70])[H:71])([H:72])[H:73])([H:74])[H:75])([H:76])[H:77])[O:48][H:110]
Derived Operators
EVODEX.1-F356 - Elemental Balance
| C | -18 |
| O | -2 |
| N | -1 |
| H | -37 |
EVODEX.1-M360 - Mass Difference
-299.28261000000003
EVODEX.1-E1147 - Reaction Operator E
[#6:17]-[#6:18](=[#8:19])-[#7](-[#6@@](-[#6](-[#8]-[H])(-[H])-[H])(-[#6@](-[#8]-[H])(-[#6](=[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])-[H])-[H])-[H])-[H])-[H].[#8:41](-[H:109])-[H]>>[#6:17]-[#6:18](=[#8:19])-[#8:41]-[H:109]
EVODEX.1-C693 - Reaction Operator C
[H]-[#8]-[#6](-[H])(-[H])-[#6@](-[H])(-[#7](-[H])-[#6:22])-[#6@](-[H])(-[#8]-[H])-[#6](-[H])=[#6](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H].[H]-[#8:45]>>[#6:22]-[#8:45]
EVODEX.1-N857 - Reaction Operator N
[H]-[#8]-[#6](-[H])(-[H])-[#6@](-[H])(-[#7](-[H])-[#6:22](-[#6:21])=[#8:23])-[#6@](-[H])(-[#8]-[H])-[#6](-[H])=[#6](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H].[H]-[#8:45]-[H:113]>>[#6:21]-[#6:22](=[#8:23])-[#8:45]-[H:113]
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-R6318
[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12]([C:13]([C:14](=[C:15]([C@@:16]([O:17][H:49])([C@:18]([C:19]([O:20][H:50])([H:51])[H:52])([N:21]([C:22](=[O:23])[C:24]([C:25]([C:26]([C:27]([C:28]([C:29]([C:30]([C:31]([C:32]([C:33]([C:34]([N:35]([C:36]1:[C:37]([H:53]):[C:38]([H:54]):[C:39]([N+:40](=[O:41])[O-:42]):[C:43]2:[N:44]:[O:45]:[N:46]:[C:47]:1:2)[H:55])([H:56])[H:57])([H:58])[H:59])([H:60])[H:61])([H:62])[H:63])([H:64])[H:65])([H:66])[H:67])([H:68])[H:69])([H:70])[H:71])([H:72])[H:73])([H:74])[H:75])([H:76])[H:77])[H:78])[H:79])[H:80])[H:81])[H:82])([H:83])[H:84])([H:85])[H:86])([H:87])[H:88])([H:89])[H:90])([H:91])[H:92])([H:93])[H:94])([H:95])[H:96])([H:97])[H:98])([H:99])[H:100])([H:101])[H:102])([H:103])[H:104])([H:105])[H:106])([H:107])([H:108])[H:109].[H][O:48][H:110]>>[C:22](=[O:23])([C:24]([C:25]([C:26]([C:27]([C:28]([C:29]([C:30]([C:31]([C:32]([C:33]([C:34]([N:35]([C:36]1:[C:37]([H:53]):[C:38]([H:54]):[C:39]([N+:40](=[O:41])[O-:42]):[C:43]2:[N:44]:[O:45]:[N:46]:[C:47]:1:2)[H:55])([H:56])[H:57])([H:58])[H:59])([H:60])[H:61])([H:62])[H:63])([H:64])[H:65])([H:66])[H:67])([H:68])[H:69])([H:70])[H:71])([H:72])[H:73])([H:74])[H:75])([H:76])[H:77])[O:48][H:110].[H][N:21]([C@:18]([C@@:16]([C:15](=[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:107])([H:108])[H:109])([H:105])[H:106])([H:103])[H:104])([H:101])[H:102])([H:99])[H:100])([H:97])[H:98])([H:95])[H:96])([H:93])[H:94])([H:91])[H:92])([H:89])[H:90])([H:87])[H:88])([H:85])[H:86])([H:83])[H:84])[H:82])[H:81])([O:17][H:49])[H:80])([C:19]([O:20][H:50])([H:51])[H:52])[H:79])[H:78]