SMIRKS
[C:1]([C:2]1([H:58])[C:3]([H:59])([H:60])[C:4]([H:61])([H:62])[C:5]([H:63])([H:64])[C:6]1=[O:7])([H:65])([H:66])[H:67].[O:56]=[O:57]>>[C:1]([C:2]1([H:58])[C:3]([H:59])([H:60])[C:4]([H:61])([H:62])[C:5]([H:63])([H:64])[O:57][C:6]1=[O:7])([H:65])([H:66])[H:67].[H][O:56][H]
Derived Operators
EVODEX.1-M3 - Mass Difference
2.01566
EVODEX.1-E27 - Reaction Operator E
[#8:49]=[#6:50](-[#6:51](-[H:91])(-[H:92])-[#6:52])-[#6:58].[#8:59]=[#8:60]>>[#8:49]=[#6:50](-[#6:58])-[#8:60]-[#6:51](-[#6:52])(-[H:91])-[H:92].[#8:59](-[H])-[H]
EVODEX.1-C97 - Reaction Operator C
[#6:50]-[#6:51].[#8:59]=[#8:60]>>[#6:50]-[#8:60]-[#6:51].[H]-[#8:59]-[H]
EVODEX.1-N181 - Reaction Operator N
[#8:49]=[#6:50](-[#6:51](-[H:91])(-[H:92])-[#6:52])-[#6:58].[#8:59]=[#8:60]>>[#8:49]=[#6:50](-[#6:58])-[#8:60]-[#6:51](-[#6:52])(-[H:91])-[H:92].[H]-[#8:59]-[H]
EVODEX.1-Em263 - Reaction Operator Em
[#8:49]=[#6:50](-[#6:51]-[#6:52])-[#6:58].[#8:59]=[#8:60]>>[#8:49]=[#6:50](-[#6:58])-[#8:60]-[#6:51]-[#6:52].[H]-[#8:59]-[H]
EVODEX.1-Cm119 - Reaction Operator Cm
[#6:50]-[#6:51].[#8:59]=[#8:60]>>[#6:50]-[#8:60]-[#6:51].[H]-[#8:59]-[H]
EVODEX.1-Nm261 - Reaction Operator Nm
[#8:49]=[#6:50](-[#6:51]-[#6:52])-[#6:58].[#8:59]=[#8:60]>>[#8:49]=[#6:50](-[#6:58])-[#8:60]-[#6:51]-[#6:52].[H]-[#8:59]-[H]
Source Full Reactions
EVODEX.1-R437
[C:1]([C:2]1([H:58])[C:3]([H:59])([H:60])[C:4]([H:61])([H:62])[C:5]([H:63])([H:64])[C:6]1=[O:7])([H:65])([H:66])[H:67].[HH].[H][C:55]1([H:94])[C:11]([C:9]([N:8]([H:96])[H:97])=[O:10])=[C:12]([H:68])[N:13]([C@:14]2([H:69])[O:15][C@@:16]([C:17]([O:18][P:19](=[O:20])([O:21][H:70])[O:22][P:23](=[O:24])([O:25][H:71])[O:26][C:27]([C@@:28]3([H:72])[O:29][C@:30]([N:31]4:[C:32]([H:73]):[N:33]:[C:34]5:[C:35]([N:36]([H:74])[H:75]):[N:37]:[C:38]([H:76]):[N:39]:[C:40]:4:5)([H:77])[C@@:41]([O:42][P:43](=[O:44])([O:45][H:78])[O:46][H:79])([H:80])[C@@:47]3([O:48][H:81])[H:82])([H:83])[H:84])([H:85])[H:86])([H:87])[C@:49]([O:50][H:88])([H:89])[C@:51]2([O:52][H:90])[H:91])[C:53]([H:92])=[C:54]1[H:93].[O:56]=[O:57]>>[C:1]([C:2]1([H:58])[C:3]([H:59])([H:60])[C:4]([H:61])([H:62])[C:5]([H:63])([H:64])[O:57][C:6]1=[O:7])([H:65])([H:66])[H:67].[N:8]([C:9](=[O:10])[C:11]1:[C:12]([H:68]):[N+:13]([C@:14]2([H:69])[O:15][C@@:16]([C:17]([O:18][P:19](=[O:20])([O:21][H:70])[O:22][P:23](=[O:24])([O:25][H:71])[O:26][C:27]([C@@:28]3([H:72])[O:29][C@:30]([N:31]4:[C:32]([H:73]):[N:33]:[C:34]5:[C:35]([N:36]([H:74])[H:75]):[N:37]:[C:38]([H:76]):[N:39]:[C:40]:4:5)([H:77])[C@@:41]([O:42][P:43](=[O:44])([O:45][H:78])[O:46][H:79])([H:80])[C@@:47]3([O:48][H:81])[H:82])([H:83])[H:84])([H:85])[H:86])([H:87])[C@:49]([O:50][H:88])([H:89])[C@:51]2([O:52][H:90])[H:91]):[C:53]([H:92]):[C:54]([H:93]):[C:55]:1[H:94])([H:96])[H:97].[H][O:56][H]