SMIRKS
[H][C:3]([C:2]([C:1]([H:62])([H:63])[H:64])([H:60])[H:61])([N:4]([H:54])[H:55])[C:5]([C:6](=[O:7])[O:8][H:56])([H:57])[H:58].[H][O:53][H]>>[C:1]([C:2]([C:3]([C:5]([C:6](=[O:7])[O:8][H:56])([H:57])[H:58])=[O:53])([H:60])[H:61])([H:62])([H:63])[H:64].[H][N:4]([H:54])[H:55]
Derived Operators
EVODEX.1-M5 - Mass Difference
-2.01566
EVODEX.1-E50 - Reaction Operator E
[#7:1](-[#6:2](-[#6:3])(-[#6:9])-[H])(-[H:29])-[H:30].[#8:15](-[H])-[H]>>[#6:2](-[#6:3])(-[#6:9])=[#8:15].[#7:1](-[H:29])(-[H:30])-[H]
EVODEX.1-N38 - Reaction Operator N
[H]-[#6@@:2](-[#7:1](-[H:36])-[H:37])(-[#6:3])-[#6:14].[H]-[#8:17]-[H]>>[#6:2](-[#6:3])(-[#6:14])=[#8:17].[H]-[#7:1](-[H:36])-[H:37]
EVODEX.1-Em331 - Reaction Operator Em
[H]-[#6:6](-[#6:5])(-[#6:7])-[#7:8].[H]-[#8:9]-[H]>>[#6:5]-[#6:6](-[#6:7])=[#8:9].[H]-[#7:8]
EVODEX.1-Nm110 - Reaction Operator Nm
[H]-[#6:2](-[#7:1])(-[#6:3])-[#6:14].[H]-[#8:17]-[H]>>[#6:2](-[#6:3])(-[#6:14])=[#8:17].[H]-[#7:1]
Source Full Reactions
EVODEX.1-R857
[H][C:3]([C:2]([C:1]([H:62])([H:63])[H:64])([H:60])[H:61])([N:4]([H:54])[H:55])[C:5]([C:6](=[O:7])[O:8][H:56])([H:57])[H:58].[N:9]([C:10](=[O:11])[C:12]1:[C:13]([H:65]):[C:14]([H:66]):[C:15]([H:67]):[N+:16]([C@:17]2([H:68])[O:18][C@@:19]([C:20]([O:21][P:22](=[O:23])([O:24][H:69])[O:25][P:26](=[O:27])([O:28][H:70])[O:29][C:30]([C@@:31]3([H:71])[O:32][C@:33]([N:34]4:[C:35]([H:72]):[N:36]:[C:37]5:[C:38]([N:39]([H:73])[H:74]):[N:40]:[C:41]([H:75]):[N:42]:[C:43]:4:5)([H:76])[C@@:44]([O:45][H:77])([H:78])[C@@:46]3([O:47][H:79])[H:80])([H:81])[H:82])([H:83])[H:84])([H:85])[C@:48]([O:49][H:86])([H:87])[C@:50]2([O:51][H:88])[H:89]):[C:52]:1[H:90])([H:91])[H:92].[H][O:53][H]>>[C:1]([C:2]([C:3]([C:5]([C:6](=[O:7])[O:8][H:56])([H:57])[H:58])=[O:53])([H:60])[H:61])([H:62])([H:63])[H:64].[HH].[H][C:13]1([H:65])[C:12]([C:10]([N:9]([H:91])[H:92])=[O:11])=[C:52]([H:90])[N:16]([C@:17]2([H:68])[O:18][C@@:19]([C:20]([O:21][P:22](=[O:23])([O:24][H:69])[O:25][P:26](=[O:27])([O:28][H:70])[O:29][C:30]([C@@:31]3([H:71])[O:32][C@:33]([N:34]4:[C:35]([H:72]):[N:36]:[C:37]5:[C:38]([N:39]([H:73])[H:74]):[N:40]:[C:41]([H:75]):[N:42]:[C:43]:4:5)([H:76])[C@@:44]([O:45][H:77])([H:78])[C@@:46]3([O:47][H:79])[H:80])([H:81])[H:82])([H:83])[H:84])([H:85])[C@:48]([O:49][H:86])([H:87])[C@:50]2([O:51][H:88])[H:89])[C:15]([H:67])=[C:14]1[H:66].[H][N:4]([H:54])[H:55]