SMIRKS
[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])[C:9]([C:8]1:[C:2]([N:1]([H:28])[H:29]):[C:3]([O:4][H:18]):[C:5]([H:19]):[C:6]([H:20]):[C:7]:1[H:21])=[O:10]>>[H]O[C:9]([C:8]1:[C:2]([N:1]([H:28])[H:29]):[C:3]([O:4][H:18]):[C:5]([H:19]):[C:6]([H:20]):[C:7]:1[H:21])=[O:10]
Derived Operators
EVODEX.1-F138 - Elemental Balance
| O | -1 |
| C | -3 |
| N | -1 |
| H | -5 |
EVODEX.1-M45 - Mass Difference
-71.03715000000001
EVODEX.1-E793 - Reaction Operator E
[#6:8]-[#6:9](=[#8:10])-[#6](-[#6@](-[#7](-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])-[H]>>[#6:8]-[#6:9](=[#8:10])-[#8]-[H]
EVODEX.1-C724 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6:9]>>[H]-[#8]-[#6:9]
EVODEX.1-N895 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6:9](-[#6:8])=[#8:10]>>[H]-[#8]-[#6:9](-[#6:8])=[#8:10]
EVODEX.1-Em136 - Reaction Operator Em
[#6]-[#6](-[H])(-[H])-[#6:9](-[#6:8])=[#8:10]>>[H]-[#8]-[#6:9](-[#6:8])=[#8:10]
EVODEX.1-Nm166 - Reaction Operator Nm
[#6]-[#6](-[H])(-[H])-[#6:9](-[#6:8])=[#8:10]>>[H]-[#8]-[#6:9](-[#6:8])=[#8:10]
Source Full Reactions
EVODEX.1-R6675
[N:1]([C:2]1:[C:3]([O:4][H:18]):[C:5]([H:19]):[C:6]([H:20]):[C:7]([H:21]):[C:8]:1[C:9](=[O:10])[C:11]([C@:12]([N:13]([H:22])[H:23])([C:14](=[O:15])[O:16][H:24])[H:25])([H:26])[H:27])([H:28])[H:29].[H][O:17][H:30]>>[H][C:11]([C@:12]([N:13]([H:22])[H:23])([C:14](=[O:15])[O:16][H:24])[H:25])([H:26])[H:27].[N:1]([C:2]1:[C:3]([O:4][H:18]):[C:5]([H:19]):[C:6]([H:20]):[C:7]([H:21]):[C:8]:1[C:9](=[O:10])[O:17][H:30])([H:28])[H:29]