SMIRKS
[H][N:1]([C:2]([C:3](=[O:4])[O:5][H:63])([H:64])[H:65])[H:66].[H]O[C:10]([C:9]([C:8]([C@:7]([N:6]([H:75])[H:76])([C:13](=[O:14])[O:15][H:73])[H:74])([H:71])[H:72])([H:69])[H:70])=[O:11]>>[N:1]([C:2]([C:3](=[O:4])[O:5][H:63])([H:64])[H:65])([C:10]([C:9]([C:8]([C@:7]([N:6]([H:75])[H:76])([C:13](=[O:14])[O:15][H:73])[H:74])([H:71])[H:72])([H:69])[H:70])=[O:11])[H:66]
Derived Operators
EVODEX.1-F33 - Elemental Balance
| O | -1 |
| H | -2 |
EVODEX.1-M4 - Mass Difference
-18.010559999999998
EVODEX.1-E500 - Reaction Operator E
[#7:11]-[#6@@:12](-[#6:13]-[#6:14]-[#6:15](=[#8:16])-[#8]-[H])(-[#6:18])-[H:58].[#7:1](-[#6:2])(-[H:70])-[H]>>[#7:1](-[#6:2])(-[#6:15](-[#6:14]-[#6:13]-[#6@:12](-[#7:11])(-[#6:18])-[H:58])=[#8:16])-[H:70]
EVODEX.1-N8 - Reaction Operator N
[H]-[#7:1](-[#6:2])-[H:60].[H]-[#8]-[#6:16](-[#6@@:13])=[#8:17]>>[#7:1](-[#6:2])(-[#6:16](-[#6@@:13])=[#8:17])-[H:60]
EVODEX.1-Em33 - Reaction Operator Em
[H]-[#8]-[#6:42](-[#6:40])=[#8:43].[H]-[#7:47]-[#6:46]>>[#6:40]-[#6:42](=[#8:43])-[#7:47]-[#6:46]
EVODEX.1-Nm34 - Reaction Operator Nm
[H]-[#8]-[#6:42](-[#6:40])=[#8:43].[H]-[#7:47]-[#6:46]>>[#6:40]-[#6:42](=[#8:43])-[#7:47]-[#6:46]
Source Full Reactions
EVODEX.1-R7662
[N:16]([C:17]1:[N:18]:[C:19]([H:47]):[N:20]:[C:21]2:[C:22]:1:[N:23]:[C:24]([H:48]):[N:25]:2[C@:26]1([H:49])[O:27][C@@:28]([C:29]([O:30][P:31](=[O:32])([O:33][H:50])[O:34][P:35](=[O:36])([O:37][H:51])[O:38][P:39](=[O:40])([O:41][H:52])[O:42][H:53])([H:54])[H:55])([H:56])[C@:43]([O:44][H:57])([H:58])[C@:45]1([O:46][H:59])[H:60])([H:61])[H:62].[H][N:1]([C:2]([C:3](=[O:4])[O:5][H:63])([H:64])[H:65])[H:66].[N:6]([C@@:7]([C:8]([C:9]([C:10](=[O:11])[O:12][H:68])([H:69])[H:70])([H:71])[H:72])([C:13](=[O:14])[O:15][H:73])[H:74])([H:75])[H:76]>>[N:1]([C:2]([C:3](=[O:4])[O:5][H:63])([H:64])[H:65])([C:10]([C:9]([C:8]([C@:7]([N:6]([H:75])[H:76])([C:13](=[O:14])[O:15][H:73])[H:74])([H:71])[H:72])([H:69])[H:70])=[O:11])[H:66].[O:12]([P:35]([O:34][P:31]([O:30][C:29]([C@@:28]1([H:56])[O:27][C@:26]([N:25]2:[C:21]3:[N:20]:[C:19]([H:47]):[N:18]:[C:17]([N:16]([H:61])[H:62]):[C:22]:3:[N:23]:[C:24]:2[H:48])([H:49])[C@@:45]([O:46][H:59])([H:60])[C@@:43]1([O:44][H:57])[H:58])([H:54])[H:55])(=[O:32])[O:33][H:50])(=[O:36])[O:37][H:51])[H:68].[H][O:38][P:39](=[O:40])([O:41][H:52])[O:42][H:53]