SMIRKS
[H][C:1]([O:2][C:3]1:[C:4]([H:61]):[C:5]([C:6](=[O:7])[O:8][H:62]):[C:9]([H:63]):[C:10]([O:11][C:12]([H:64])([H:65])[H:66]):[C:13]:1[O:14][H:67])([H:68])[H:69].O=[O:60]>>[C:1](=[O:60])([H:68])[H:69].[H][O:2][C:3]1:[C:4]([H:61]):[C:5]([C:6](=[O:7])[O:8][H:62]):[C:9]([H:63]):[C:10]([O:11][C:12]([H:64])([H:65])[H:66]):[C:13]:1[O:14][H:67]
Derived Operators
EVODEX.1-M9 - Mass Difference
-15.9949
EVODEX.1-E441 - Reaction Operator E
[#6:1](-[#8:2]-[#6:3])(-[H:72])(-[H:73])-[H].[#8]=[#8:60]>>[#6:1](=[#8:60])(-[H:72])-[H:73].[#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-N175 - Reaction Operator N
[H]-[#6:1](-[#8:2]-[#6:3])(-[H:65])-[H:66].[#8]=[#8:60]>>[#6:1](=[#8:60])(-[H:65])-[H:66].[H]-[#8:2]-[#6:3]
EVODEX.1-Em257 - Reaction Operator Em
[H]-[#6:1]-[#8:2]-[#6:3].[#8]=[#8:60]>>[#6:1]=[#8:60].[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-Nm255 - Reaction Operator Nm
[H]-[#6:1]-[#8:2]-[#6:3].[#8]=[#8:60]>>[#6:1]=[#8:60].[H]-[#8:2]-[#6:3]
Source Full Reactions
EVODEX.1-R485
[H][C:1]([O:2][C:3]1:[C:4]([H:61]):[C:5]([C:6](=[O:7])[O:8][H:62]):[C:9]([H:63]):[C:10]([O:11][C:12]([H:64])([H:65])[H:66]):[C:13]:1[O:14][H:67])([H:68])[H:69].[HH].[H][C:58]1([H:96])[C:18]([C:16]([N:15]([H:98])[H:99])=[O:17])=[C:19]([H:71])[N:20]([C@:21]2([H:72])[O:22][C@@:23]([C:24]([O:25][P:26](=[O:27])([O:28][H:73])[O:29][P:30](=[O:31])([O:32][H:74])[O:33][C:34]([C@@:35]3([H:75])[O:36][C@:37]([N:38]4:[C:39]([H:76]):[N:40]:[C:41]5:[C:42]([N:43]([H:77])[H:78]):[N:44]:[C:45]([H:79]):[N:46]:[C:47]:4:5)([H:80])[C@@:48]([O:49][H:81])([H:82])[C@@:50]3([O:51][H:83])[H:84])([H:85])[H:86])([H:87])[H:88])([H:89])[C@:52]([O:53][H:90])([H:91])[C@:54]2([O:55][H:92])[H:93])[C:56]([H:94])=[C:57]1[H:95].[O:59]=[O:60]>>[C:1](=[O:60])([H:68])[H:69].[N:15]([C:16](=[O:17])[C:18]1:[C:19]([H:71]):[N+:20]([C@:21]2([H:72])[O:22][C@@:23]([C:24]([O:25][P:26](=[O:27])([O:28][H:73])[O:29][P:30](=[O:31])([O:32][H:74])[O:33][C:34]([C@@:35]3([H:75])[O:36][C@:37]([N:38]4:[C:39]([H:76]):[N:40]:[C:41]5:[C:42]([N:43]([H:77])[H:78]):[N:44]:[C:45]([H:79]):[N:46]:[C:47]:4:5)([H:80])[C@@:48]([O:49][H:81])([H:82])[C@@:50]3([O:51][H:83])[H:84])([H:85])[H:86])([H:87])[H:88])([H:89])[C@:52]([O:53][H:90])([H:91])[C@:54]2([O:55][H:92])[H:93]):[C:56]([H:94]):[C:57]([H:95]):[C:58]:1[H:96])([H:98])[H:99].[H][O:59][H].[H][O:2][C:3]1:[C:4]([H:61]):[C:5]([C:6](=[O:7])[O:8][H:62]):[C:9]([H:63]):[C:10]([O:11][C:12]([H:64])([H:65])[H:66]):[C:13]:1[O:14][H:67]