SMIRKS
[H]OC(=O)[C@@]([H])(N([H])[C:2]([C:1]([H:31])([H:32])[H:33])=[O:3])C([H])([H])C1:C([H]):N([H]):C2:C([H]):C([H]):C([H]):C([H]):C:1:2>>[H]O[C:2]([C:1]([H:31])([H:32])[H:33])=[O:3]
Derived Operators
EVODEX.1-F203 - Elemental Balance
| O | -1 |
| C | -11 |
| N | -2 |
| H | -10 |
EVODEX.1-M128 - Mass Difference
-186.0794
EVODEX.1-E906 - Reaction Operator E
[#6:7]-[#6:8](=[#8:9])-[#7](-[#6@@](-[#6](-[#6]1:[#6](-[H]):[#7](-[H]):[#6]2:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1:2)(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H]>>[#8](-[#6:8](-[#6:7])=[#8:9])-[H]
EVODEX.1-C569 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:8])-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#7](-[H]):[#6]2:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1:2>>[H]-[#8]-[#6:8]
EVODEX.1-N722 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:8](-[#6:7])=[#8:9])-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#7](-[H]):[#6]2:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1:2>>[H]-[#8]-[#6:8](-[#6:7])=[#8:9]
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-R5594
[C:1]([C:2](=[O:3])[N:4]([C@@:5]([C:6]([C:7]1:[C:8]([H:20]):[N:9]([H:21]):[C:10]2:[C:11]([H:22]):[C:12]([H:23]):[C:13]([H:24]):[C:14]([H:25]):[C:15]:1:2)([H:26])[H:27])([C:16](=[O:17])[O:18][H:28])[H:29])[H:30])([H:31])([H:32])[H:33].[H][O:19][H:34]>>[C:1]([C:2](=[O:3])[O:19][H:34])([H:31])([H:32])[H:33].[H][N:4]([C@@:5]([C:6]([C:7]1:[C:8]([H:20]):[N:9]([H:21]):[C:10]2:[C:11]([H:22]):[C:12]([H:23]):[C:13]([H:24]):[C:14]([H:25]):[C:15]:1:2)([H:26])[H:27])([C:16](=[O:17])[O:18][H:28])[H:29])[H:30]