SMIRKS
[H][N:15]([C@:14]([C:12]([O:11][C:10]([H:27])([H:28])[H:29])=[O:13])([C@@:16]([C:17]([H:21])([H:22])[H:23])([O:18][H:24])[H:25])[H:26])[H:19].[H]C([H])([H])O[C:3](=[O:4])[C@@:5]([N:6]([H:30])[H:31])([C@@:7]([C:8]([H:32])([H:33])[H:34])([O:9][H:35])[H:36])[H:37]>>[C:3](=[O:4])([C@@:5]([N:6]([H:30])[H:31])([C@@:7]([C:8]([H:32])([H:33])[H:34])([O:9][H:35])[H:36])[H:37])[N:15]([C@:14]([C:12]([O:11][C:10]([H:27])([H:28])[H:29])=[O:13])([C@@:16]([C:17]([H:21])([H:22])[H:23])([O:18][H:24])[H:25])[H:26])[H:19]
Derived Operators
EVODEX.1-F406 - Elemental Balance
| O | -1 |
| C | -1 |
| H | -4 |
EVODEX.1-M158 - Mass Difference
-32.02622
EVODEX.1-E1212 - Reaction Operator E
[#6](-[#8]-[#6:3](=[#8:4])-[#6@:5])(-[H])(-[H])-[H].[#6:25]-[#6@:27](-[#7:28](-[H:62])-[H])(-[#6:29])-[H:74]>>[#6:3](=[#8:4])(-[#6@:5])-[#7:28](-[#6@@:27](-[#6:25])(-[#6:29])-[H:74])-[H:62]
EVODEX.1-N92 - Reaction Operator N
[H]-[#6](-[H])(-[H])-[#8]-[#6:3](=[#8:4])-[#6@:5].[H]-[#7:28](-[#6@:27])-[H:61]>>[#6:3](=[#8:4])(-[#6@:5])-[#7:28](-[#6@:27])-[H:61]
EVODEX.1-Em49 - Reaction Operator Em
[#6]-[#8]-[#6:4](=[#8:5])-[#6:6].[H]-[#7:23]-[#6:24]>>[#6:4](=[#8:5])(-[#6:6])-[#7:23]-[#6:24]
EVODEX.1-Nm58 - Reaction Operator Nm
[#6]-[#8]-[#6:4](=[#8:5])-[#6:6].[H]-[#7:23]-[#6:24]>>[#6:4](=[#8:5])(-[#6:6])-[#7:23]-[#6:24]
Source Full Reactions
EVODEX.1-R5534
[H][N:15]([C@:14]([C:12]([O:11][C:10]([H:27])([H:28])[H:29])=[O:13])([C@@:16]([C:17]([H:21])([H:22])[H:23])([O:18][H:24])[H:25])[H:26])[H:19].[C:1]([O:2][C:3](=[O:4])[C@@:5]([N:6]([H:30])[H:31])([C@@:7]([C:8]([H:32])([H:33])[H:34])([O:9][H:35])[H:36])[H:37])([H:38])([H:39])[H:40]>>[C:3](=[O:4])([C@@:5]([N:6]([H:30])[H:31])([C@@:7]([C:8]([H:32])([H:33])[H:34])([O:9][H:35])[H:36])[H:37])[N:15]([C@:14]([C:12]([O:11][C:10]([H:27])([H:28])[H:29])=[O:13])([C@@:16]([C:17]([H:21])([H:22])[H:23])([O:18][H:24])[H:25])[H:26])[H:19].[H][O:2][C:1]([H:38])([H:39])[H:40]