SMIRKS
[H][N:1]([O:2][H:44])[H:45].[H]O[C:35](=[O:34])[C:37]([C:38]1:[C:39]([H:64]):[C:40]([H:65]):[C:41]([H:66]):[C:42]([H:67]):[C:43]:1[H:68])([H:69])[H:70]>>[N:1]([O:2][H:44])([C:35](=[O:34])[C:37]([C:38]1:[C:39]([H:64]):[C:40]([H:65]):[C:41]([H:66]):[C:42]([H:67]):[C:43]:1[H:68])([H:69])[H:70])[H:45]
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-R7422
[H][N:1]([O:2][H:44])[H:45].[N:3]([C:4]1:[N:5]:[C:6]([H:47]):[N:7]:[C:8]2:[C:9]:1:[N:10]:[C:11]([H:48]):[N:12]:2[C@:13]1([H:49])[O:14][C@@:15]([C:16]([O:17][P:18](=[O:19])([O:20][H:50])[O:21][P:22](=[O:23])([O:24][H:51])[O:25][P:26](=[O:27])([O:28][H:52])[O:29][H:53])([H:54])[H:55])([H:56])[C@:30]([O:31][H:57])([H:58])[C@:32]1([O:33][H:59])[H:60])([H:61])[H:62].[O:34]=[C:35]([O:36][H:63])[C:37]([C:38]1:[C:39]([H:64]):[C:40]([H:65]):[C:41]([H:66]):[C:42]([H:67]):[C:43]:1[H:68])([H:69])[H:70]>>[N:3]([C:4]1:[N:5]:[C:6]([H:47]):[N:7]:[C:8]2:[C:9]:1:[N:10]:[C:11]([H:48]):[N:12]:2[C@:13]1([H:49])[O:14][C@@:15]([C:16]([O:17][P:18](=[O:19])([O:20][H:50])[O:36][H:63])([H:54])[H:55])([H:56])[C@:30]([O:31][H:57])([H:58])[C@:32]1([O:33][H:59])[H:60])([H:61])[H:62].[N:1]([O:2][H:44])([C:35](=[O:34])[C:37]([C:38]1:[C:39]([H:64]):[C:40]([H:65]):[C:41]([H:66]):[C:42]([H:67]):[C:43]:1[H:68])([H:69])[H:70])[H:45].[H][O:21][P:22](=[O:23])([O:24][H:51])[O:25][P:26](=[O:27])([O:28][H:52])[O:29][H:53]