SMIRKS
[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]1([O:17][H:48])[C:18]([N:19]([C:20](=[O:21])[O:22][C:23]([C:24]([C:25]([C:26]([C:27]([C:28]([C:29]([C:30]([C:31]([C:32]([H:49])([H:50])[H:51])([H:52])[H:53])([H:54])[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])[C:33]([O:34][C:35]([C:36]2:[C:37]([H:72]):[C:38]([H:73]):[C:39]([N+:40](=[O:41])[O-:42]):[C:43]([H:74]):[C:44]:2[H:75])([H:76])[H:77])([H:78])[N+:45]1=[N-:46])[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]O[C:20](=[O:21])[O:22][C:23]([C:24]([C:25]([C:26]([C:27]([C:28]([C:29]([C:30]([C:31]([C:32]([H:49])([H:50])[H:51])([H:52])[H:53])([H:54])[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][N:19]([C:18]1([H:71])[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:105])([H:106])[H:107])([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:81])[H:82])[H:80])[H:79])([O:17][H:48])[N+:45](=[N-:46])[C:33]1([O:34][C:35]([C:36]1:[C:37]([H:72]):[C:38]([H:73]):[C:39]([N+:40](=[O:41])[O-:42]):[C:43]([H:74]):[C:44]:1[H:75])([H:76])[H:77])[H:78])[H:70]
Derived Operators
EVODEX.1-M2 - Mass Difference
18.010559999999998
EVODEX.1-E369 - Reaction Operator E
[#7:6](-[#6@@:5])(-[#6:7](=[#8:8])-[#8:9])-[H:28]>>[#6:7](=[#8:8])(-[#8:9])-[#8]-[H].[#7:6](-[#6@@:5])(-[H:28])-[H]
EVODEX.1-N1834 - Reaction Operator N
[#6:18]-[#7:19](-[#6:20](=[#8:21])-[#8:22])-[H:70]>>[H]-[#8]-[#6:20](=[#8:21])-[#8:22].[H]-[#7:19](-[#6:18])-[H:70]
EVODEX.1-Em649 - Reaction Operator Em
[#6:5]-[#7:6]-[#6:7](=[#8:8])-[#8:9]>>[H]-[#8]-[#6:7](=[#8:8])-[#8:9].[H]-[#7:6]-[#6:5]
EVODEX.1-Nm582 - Reaction Operator Nm
[#6:5]-[#7:6]-[#6:7](=[#8:8])-[#8:9]>>[H]-[#8]-[#6:7](=[#8:8])-[#8:9].[H]-[#7:6]-[#6:5]
Source Full Reactions
EVODEX.1-R6327
[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]1([O:17][H:48])[C:18]([N:19]([C:20](=[O:21])[O:22][C:23]([C:24]([C:25]([C:26]([C:27]([C:28]([C:29]([C:30]([C:31]([C:32]([H:49])([H:50])[H:51])([H:52])[H:53])([H:54])[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])[C:33]([O:34][C:35]([C:36]2:[C:37]([H:72]):[C:38]([H:73]):[C:39]([N+:40](=[O:41])[O-:42]):[C:43]([H:74]):[C:44]:2[H:75])([H:76])[H:77])([H:78])[N+:45]1=[N-:46])[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][O:47][H:108]>>[C:20](=[O:21])([O:22][C:23]([C:24]([C:25]([C:26]([C:27]([C:28]([C:29]([C:30]([C:31]([C:32]([H:49])([H:50])[H:51])([H:52])[H:53])([H:54])[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])[O:47][H:108].[H][N:19]([C:18]1([H:71])[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:105])([H:106])[H:107])([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:81])[H:82])[H:80])[H:79])([O:17][H:48])[N+:45](=[N-:46])[C:33]1([O:34][C:35]([C:36]1:[C:37]([H:72]):[C:38]([H:73]):[C:39]([N+:40](=[O:41])[O-:42]):[C:43]([H:74]):[C:44]:1[H:75])([H:76])[H:77])[H:78])[H:70]