SMIRKS
[H][N:11]([O:12][H:44])[H:45].[H]O[C:4]([C:3]([C:2]([N:1]([H:70])[H:71])([C:7]([C:8](=[O:9])[O:10][H:66])([H:67])[H:68])[H:69])([H:64])[H:65])=[O:5]>>[N:1]([C:2]([C:3]([C:4](=[O:5])[N:11]([O:12][H:44])[H:45])([H:64])[H:65])([C:7]([C:8](=[O:9])[O:10][H:66])([H:67])[H:68])[H:69])([H:70])[H:71]
Derived Operators
EVODEX.1-F33 - Elemental Balance
| O | -1 |
| H | -2 |
EVODEX.1-M4 - Mass Difference
-18.010559999999998
EVODEX.1-E493 - Reaction Operator E
[#6:14](-[#6@:3])(=[#8:15])-[#8]-[H].[#7:17](-[#8:18])(-[H:67])-[H]>>[#6:14](-[#6@:3])(=[#8:15])-[#7:17](-[#8:18])-[H:67]
EVODEX.1-N853 - Reaction Operator N
[H]-[#7:11](-[#8:12])-[H:45].[H]-[#8]-[#6:4](-[#6:3])=[#8:5]>>[#6:3]-[#6:4](=[#8:5])-[#7:11](-[#8:12])-[H:45]
EVODEX.1-Em667 - Reaction Operator Em
[H]-[#7:11]-[#8:12].[H]-[#8]-[#6:4](-[#6:3])=[#8:5]>>[#6:3]-[#6:4](=[#8:5])-[#7:11]-[#8:12]
EVODEX.1-Nm600 - Reaction Operator Nm
[H]-[#7:11]-[#8:12].[H]-[#8]-[#6:4](-[#6:3])=[#8:5]>>[#6:3]-[#6:4](=[#8:5])-[#7:11]-[#8:12]
Source Full Reactions
EVODEX.1-R7532
[H][N:11]([O:12][H:44])[H:45].[N:13]([C:14]1:[N:15]:[C:16]([H:47]):[N:17]:[C:18]2:[C:19]:1:[N:20]:[C:21]([H:48]):[N:22]:2[C@:23]1([H:49])[O:24][C@@:25]([C:26]([O:27][P:28](=[O:29])([O:30][H:50])[O:31][P:32](=[O:33])([O:34][H:51])[O:35][P:36](=[O:37])([O:38][H:52])[O:39][H:53])([H:54])[H:55])([H:56])[C@:40]([O:41][H:57])([H:58])[C@:42]1([O:43][H:59])[H:60])([H:61])[H:62].[N:1]([C:2]([C:3]([C:4](=[O:5])[O:6][H:63])([H:64])[H:65])([C:7]([C:8](=[O:9])[O:10][H:66])([H:67])[H:68])[H:69])([H:70])[H:71]>>[N:1]([C:2]([C:3]([C:4](=[O:5])[N:11]([O:12][H:44])[H:45])([H:64])[H:65])([C:7]([C:8](=[O:9])[O:10][H:66])([H:67])[H:68])[H:69])([H:70])[H:71].[H][O:35][P:36](=[O:37])([O:38][H:52])[O:39][H:53].[O:6]([P:32]([O:31][P:28]([O:27][C:26]([C@@:25]1([H:56])[O:24][C@:23]([N:22]2:[C:18]3:[N:17]:[C:16]([H:47]):[N:15]:[C:14]([N:13]([H:61])[H:62]):[C:19]:3:[N:20]:[C:21]:2[H:48])([H:49])[C@@:42]([O:43][H:59])([H:60])[C@@:40]1([O:41][H:57])[H:58])([H:54])[H:55])(=[O:29])[O:30][H:50])(=[O:33])[O:34][H:51])[H:63]