SMIRKS
[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])[C:4](=[O:5])[C:6]1:[C:7]([H:19]):[C:8]([H:20]):[C:9]([H:21]):[C:10]([H:22]):[C:11]:1[N:12]([C:13](=[O:14])[H:23])[H:24].[H][O:18][H:31]>>[C:4](=[O:5])([C:6]1:[C:7]([H:19]):[C:8]([H:20]):[C:9]([H:21]):[C:10]([H:22]):[C:11]:1[N:12]([C:13](=[O:14])[H:23])[H:24])[O:18][H:31]
Derived Operators
EVODEX.1-F263 - Elemental Balance
| O | -2 |
| C | -3 |
| N | -1 |
| H | -7 |
EVODEX.1-M49 - Mass Difference
-89.04771000000001
EVODEX.1-E998 - Reaction Operator E
[#6:8]-[#6:9](=[#8:10])-[#6](-[#6@](-[#7](-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])-[H].[#8:17](-[H:29])-[H]>>[#6:8]-[#6:9](=[#8:10])-[#8:17]-[H:29]
EVODEX.1-C725 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6:10].[H]-[#8:18]>>[#6:10]-[#8:18]
EVODEX.1-N896 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6:10](-[#6:9])=[#8:11].[H]-[#8:18]-[H:29]>>[#6:9]-[#6:10](=[#8:11])-[#8:18]-[H:29]
EVODEX.1-Em135 - Reaction Operator Em
[#6]-[#6](-[H])(-[H])-[#6:10](-[#6:9])=[#8:11].[H]-[#8:18]>>[#6:9]-[#6:10](=[#8:11])-[#8:18]
EVODEX.1-Nm165 - Reaction Operator Nm
[#6]-[#6](-[H])(-[H])-[#6:10](-[#6:9])=[#8:11].[H]-[#8:18]>>[#6:9]-[#6:10](=[#8:11])-[#8:18]
Source Full Reactions
EVODEX.1-R6678
[N:1]([C@@:2]([C:3]([C:4](=[O:5])[C:6]1:[C:7]([H:19]):[C:8]([H:20]):[C:9]([H:21]):[C:10]([H:22]):[C:11]:1[N:12]([C:13](=[O:14])[H:23])[H:24])([H:25])[H:26])([C:15](=[O:16])[O:17][H:27])[H:28])([H:29])[H:30].[H][O:18][H:31]>>[C:4](=[O:5])([C:6]1:[C:7]([H:19]):[C:8]([H:20]):[C:9]([H:21]):[C:10]([H:22]):[C:11]:1[N:12]([C:13](=[O:14])[H:23])[H:24])[O:18][H:31].[H][C:3]([C@:2]([N:1]([H:29])[H:30])([C:15](=[O:16])[O:17][H:27])[H:28])([H:25])[H:26]