SMIRKS
[H]OC(=O)[C@@]([H])(N([H])[C:5]([C@@:2]([N:1]([H:31])[H:32])([C:3]([O:4][H:19])([H:20])[H:21])[H:30])=[O:6])C([H])([H])C1:C([H]):N:C([H]):N:1[H]>>[H]O[C:5]([C@@:2]([N:1]([H:31])[H:32])([C:3]([O:4][H:19])([H:20])[H:21])[H:30])=[O:6]
Derived Operators
EVODEX.1-F281 - Elemental Balance
| O | -1 |
| C | -6 |
| N | -3 |
| H | -7 |
EVODEX.1-M312 - Mass Difference
-137.05901
EVODEX.1-E1037 - Reaction Operator E
[#8:2]=[#6:3](-[#7](-[#6](-[#6](-[#6]1:[#6](-[H]):[#7]:[#6](-[H]):[#7]:1-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H])-[#6:15]>>[#8](-[#6:3](=[#8:2])-[#6:15])-[H]
EVODEX.1-C597 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:12])-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#7]:[#6](-[H]):[#7]:1-[H]>>[H]-[#8]-[#6:12]
EVODEX.1-N754 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:12](-[#6:11])=[#8:13])-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#7]:[#6](-[H]):[#7]:1-[H]>>[H]-[#8]-[#6:12](-[#6:11])=[#8:13]
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-R5587
[N:1]([C@@:2]([C:3]([O:4][H:19])([H:20])[H:21])([C:5](=[O:6])[N:7]([C@@:8]([C:9]([C:10]1:[C:11]([H:22]):[N:12]:[C:13]([H:23]):[N:14]:1[H:24])([H:25])[H:26])([C:15](=[O:16])[O:17][H:27])[H:28])[H:29])[H:30])([H:31])[H:32].[H][O:18][H:33]>>[N:1]([C@@:2]([C:3]([O:4][H:19])([H:20])[H:21])([C:5](=[O:6])[O:18][H:33])[H:30])([H:31])[H:32].[H][N:7]([C@@:8]([C:9]([C:10]1:[C:11]([H:22]):[N:12]:[C:13]([H:23]):[N:14]:1[H:24])([H:25])[H:26])([C:15](=[O:16])[O:17][H:27])[H:28])[H:29]