SMIRKS
[H][C:1]([O:2][C:3]([C:4]([C:5]([C:6](=[O:7])[O:8][H:61])([H:62])[H:63])([C:9]1:[C:10]([H:64]):[C:11]([H:65]):[C:12]([H:66]):[C:13]([H:67]):[C:14]:1[H:68])[H:69])([H:70])[H:71])([H:72])[H:73].[O:59]=[O:60]>>[C:1](=[O:60])([H:72])[H:73].[H][O:59][H].[H][O:2][C:3]([C:4]([C:5]([C:6](=[O:7])[O:8][H:61])([H:62])[H:63])([C:9]1:[C:10]([H:64]):[C:11]([H:65]):[C:12]([H:66]):[C:13]([H:67]):[C:14]:1[H:68])[H:69])([H:70])[H:71]
Derived Operators
EVODEX.1-M3 - Mass Difference
2.01566
EVODEX.1-E22 - Reaction Operator E
[#6:1](-[#8:2]-[#6:3])(-[H:72])(-[H:73])-[H].[#8:59]=[#8:60]>>[#6:1](=[#8:60])(-[H:72])-[H:73].[#8:59](-[H])-[H].[#8:2](-[#6:3])-[H]
EVODEX.1-C73 - Reaction Operator C
[H]-[#6:1]-[#8:2].[#8:59]=[#8:60]>>[#6:1]=[#8:60].[H]-[#8:59]-[H].[H]-[#8:2]
EVODEX.1-N191 - Reaction Operator N
[H]-[#6:1](-[#8:2]-[#6:3])(-[H:72])-[H:73].[#8:59]=[#8:60]>>[#6:1](=[#8:60])(-[H:72])-[H:73].[H]-[#8:59]-[H].[H]-[#8:2]-[#6:3]
EVODEX.1-Em273 - Reaction Operator Em
[H]-[#6:1]-[#8:2]-[#6:3].[#8:59]=[#8:60]>>[#6:1]=[#8:60].[H]-[#8:59]-[H].[H]-[#8:2]-[#6:3]
EVODEX.1-Cm90 - Reaction Operator Cm
[H]-[#6:1]-[#8:2].[#8:59]=[#8:60]>>[#6:1]=[#8:60].[H]-[#8:59]-[H].[H]-[#8:2]
EVODEX.1-Nm271 - Reaction Operator Nm
[H]-[#6:1]-[#8:2]-[#6:3].[#8:59]=[#8:60]>>[#6:1]=[#8:60].[H]-[#8:59]-[H].[H]-[#8:2]-[#6:3]
Source Full Reactions
EVODEX.1-R591
[H][C:1]([O:2][C:3]([C:4]([C:5]([C:6](=[O:7])[O:8][H:61])([H:62])[H:63])([C:9]1:[C:10]([H:64]):[C:11]([H:65]):[C:12]([H:66]):[C:13]([H:67]):[C:14]:1[H:68])[H:69])([H:70])[H:71])([H:72])[H:73].[HH].[H][C:58]1([H:100])[C:18]([C:16]([N:15]([H:102])[H:103])=[O:17])=[C:19]([H:75])[N:20]([C@:21]2([H:76])[O:22][C@@:23]([C:24]([O:25][P:26](=[O:27])([O:28][H:77])[O:29][P:30](=[O:31])([O:32][H:78])[O:33][C:34]([C@@:35]3([H:79])[O:36][C@:37]([N:38]4:[C:39]([H:80]):[N:40]:[C:41]5:[C:42]([N:43]([H:81])[H:82]):[N:44]:[C:45]([H:83]):[N:46]:[C:47]:4:5)([H:84])[C@@:48]([O:49][H:85])([H:86])[C@@:50]3([O:51][H:87])[H:88])([H:89])[H:90])([H:91])[H:92])([H:93])[C@:52]([O:53][H:94])([H:95])[C@:54]2([O:55][H:96])[H:97])[C:56]([H:98])=[C:57]1[H:99].[O:59]=[O:60]>>[C:1](=[O:60])([H:72])[H:73].[N:15]([C:16](=[O:17])[C:18]1:[C:19]([H:75]):[N+:20]([C@:21]2([H:76])[O:22][C@@:23]([C:24]([O:25][P:26](=[O:27])([O:28][H:77])[O:29][P:30](=[O:31])([O:32][H:78])[O:33][C:34]([C@@:35]3([H:79])[O:36][C@:37]([N:38]4:[C:39]([H:80]):[N:40]:[C:41]5:[C:42]([N:43]([H:81])[H:82]):[N:44]:[C:45]([H:83]):[N:46]:[C:47]:4:5)([H:84])[C@@:48]([O:49][H:85])([H:86])[C@@:50]3([O:51][H:87])[H:88])([H:89])[H:90])([H:91])[H:92])([H:93])[C@:52]([O:53][H:94])([H:95])[C@:54]2([O:55][H:96])[H:97]):[C:56]([H:98]):[C:57]([H:99]):[C:58]:1[H:100])([H:102])[H:103].[H][O:59][H].[H][O:2][C:3]([C:4]([C:5]([C:6](=[O:7])[O:8][H:61])([H:62])[H:63])([C:9]1:[C:10]([H:64]):[C:11]([H:65]):[C:12]([H:66]):[C:13]([H:67]):[C:14]:1[H:68])[H:69])([H:70])[H:71]