SMIRKS
[H][N:6]([C:5]([C:4]([C:3]([C:2]([N:1]([H:74])[H:75])([H:72])[H:73])([H:70])[H:71])([H:68])[H:69])([H:66])[H:67])[H:64].[H]O[C:11]([C:10]([C:9]([C@@:8]([N:7]([H:83])[H:84])([C:14](=[O:15])[O:16][H:81])[H:82])([H:79])[H:80])([H:77])[H:78])=[O:12]>>[N:1]([C:2]([C:3]([C:4]([C:5]([N:6]([C:11]([C:10]([C:9]([C@@:8]([N:7]([H:83])[H:84])([C:14](=[O:15])[O:16][H:81])[H:82])([H:79])[H:80])([H:77])[H:78])=[O:12])[H:64])([H:66])[H:67])([H:68])[H:69])([H:70])[H:71])([H:72])[H:73])([H:74])[H:75]
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-R7523
[N:17]([C:18]1:[N:19]:[C:20]([H:48]):[N:21]:[C:22]2:[C:23]:1:[N:24]:[C:25]([H:49]):[N:26]:2[C@:27]1([H:50])[O:28][C@@:29]([C:30]([O:31][P:32](=[O:33])([O:34][H:51])[O:35][P:36](=[O:37])([O:38][H:52])[O:39][P:40](=[O:41])([O:42][H:53])[O:43][H:54])([H:55])[H:56])([H:57])[C@:44]([O:45][H:58])([H:59])[C@:46]1([O:47][H:60])[H:61])([H:62])[H:63].[H][N:6]([C:5]([C:4]([C:3]([C:2]([N:1]([H:74])[H:75])([H:72])[H:73])([H:70])[H:71])([H:68])[H:69])([H:66])[H:67])[H:64].[N:7]([C@:8]([C:9]([C:10]([C:11](=[O:12])[O:13][H:76])([H:77])[H:78])([H:79])[H:80])([C:14](=[O:15])[O:16][H:81])[H:82])([H:83])[H:84]>>[H][O:39][P:36]([O:35][P:32]([O:31][C:30]([C@@:29]1([H:57])[O:28][C@:27]([N:26]2:[C:22]3:[N:21]:[C:20]([H:48]):[N:19]:[C:18]([N:17]([H:62])[H:63]):[C:23]:3:[N:24]:[C:25]:2[H:49])([H:50])[C@@:46]([O:47][H:60])([H:61])[C@@:44]1([O:45][H:58])[H:59])([H:55])[H:56])(=[O:33])[O:34][H:51])(=[O:37])[O:38][H:52].[N:1]([C:2]([C:3]([C:4]([C:5]([N:6]([C:11]([C:10]([C:9]([C@@:8]([N:7]([H:83])[H:84])([C:14](=[O:15])[O:16][H:81])[H:82])([H:79])[H:80])([H:77])[H:78])=[O:12])[H:64])([H:66])[H:67])([H:68])[H:69])([H:70])[H:71])([H:72])[H:73])([H:74])[H:75].[O:13]([P:40](=[O:41])([O:42][H:53])[O:43][H:54])[H:76]