SMIRKS
[H]OC(=O)[C@@]([H])(N([H])[C:3]([C:2]([N:1]([H:31])[H:32])([H:29])[H:30])=[O:4])C([H])([H])C1:C([H]):C([H]):C(O[H]):C([H]):C:1[H]>>[H]O[C:3]([C:2]([N:1]([H:31])[H:32])([H:29])[H:30])=[O:4]
Derived Operators
EVODEX.1-F200 - Elemental Balance
| O | -2 |
| C | -9 |
| N | -1 |
| H | -9 |
EVODEX.1-M127 - Mass Difference
-163.06337
EVODEX.1-E902 - Reaction Operator E
[#8:2]=[#6:3](-[#7](-[#6@@](-[#6](-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#8]-[H]):[#6](-[H]):[#6]:1-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H])-[#6:17]>>[#8](-[#6:3](=[#8:2])-[#6:17])-[H]
EVODEX.1-C550 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[#7](-[H])-[#6:3])-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#8]-[H]):[#6](-[H]):[#6]:1-[H]>>[H]-[#8]-[#6:3]
EVODEX.1-N702 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[#7](-[H])-[#6:3](=[#8:2])-[#6:4])-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#8]-[H]):[#6](-[H]):[#6]:1-[H]>>[H]-[#8]-[#6:3](=[#8:2])-[#6:4]
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-R5419
[N:1]([C:2]([C:3](=[O:4])[N:5]([C@@:6]([C:7]([C:8]1:[C:9]([H:19]):[C:10]([H:20]):[C:11]([O:12][H:21]):[C:13]([H:22]):[C:14]:1[H:23])([H:24])[H:25])([C:15](=[O:16])[O:17][H:26])[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])[O:18][H:33])([H:29])[H:30])([H:31])[H:32].[H][N:5]([C@@:6]([C:7]([C:8]1:[C:9]([H:19]):[C:10]([H:20]):[C:11]([O:12][H:21]):[C:13]([H:22]):[C:14]:1[H:23])([H:24])[H:25])([C:15](=[O:16])[O:17][H:26])[H:27])[H:28]