SMIRKS
[H]OC(=O)[C@@]([H])(N([H])[C:7]([C@@:2]([N:1]([H:27])[H:28])([C:3]([C:4](=[O:5])[O:6][H:17])([H:18])[H:19])[H:26])=[O:8])C([H])([H])O[H]>>[H]O[C:7]([C@@:2]([N:1]([H:27])[H:28])([C:3]([C:4](=[O:5])[O:6][H:17])([H:18])[H:19])[H:26])=[O:8]
Derived Operators
EVODEX.1-F264 - Elemental Balance
| O | -2 |
| C | -3 |
| N | -1 |
| H | -5 |
EVODEX.1-M77 - Mass Difference
-87.03205000000001
EVODEX.1-E1001 - Reaction Operator E
[#6:42](-[#6@:40])(=[#8:43])-[#7](-[#6@@](-[#6](-[#8]-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H]>>[#6:42](-[#6@:40])(=[#8:43])-[#8]-[H]
EVODEX.1-C549 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:42])-[#6](-[H])(-[H])-[#8]-[H]>>[H]-[#8]-[#6:42]
EVODEX.1-N701 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:42](-[#6@:40])=[#8:43])-[#6](-[H])(-[H])-[#8]-[H]>>[H]-[#8]-[#6:42](-[#6@:40])=[#8:43]
EVODEX.1-Em3 - Reaction Operator Em
[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43]>>[H]-[#8]-[#6:42](-[#6:40])=[#8:43]
EVODEX.1-Nm3 - Reaction Operator Nm
[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43]>>[H]-[#8]-[#6:42](-[#6:40])=[#8:43]
Source Full Reactions
EVODEX.1-R5590
[N:1]([C@@:2]([C:3]([C:4](=[O:5])[O:6][H:17])([H:18])[H:19])([C:7](=[O:8])[N:9]([C@@:10]([C:11]([O:12][H:20])([H:21])[H:22])([C:13](=[O:14])[O:15][H:23])[H:24])[H:25])[H:26])([H:27])[H:28].[H][O:16][H:29]>>[N:1]([C@@:2]([C:3]([C:4](=[O:5])[O:6][H:17])([H:18])[H:19])([C:7](=[O:8])[O:16][H:29])[H:26])([H:27])[H:28].[H][N:9]([C@@:10]([C:11]([O:12][H:20])([H:21])[H:22])([C:13](=[O:14])[O:15][H:23])[H:24])[H:25]