SMIRKS
[O:6]=[C:7]([O:8][H:23])[C:9](=[O:10])[C:11]([C:12]1:[C:13]([H:24]):[C:14]([H:25]):[C:15]([H:26]):[C:16]([H:27]):[C:17]:1[H:28])([H:29])[H:30]>>[H]OC(=O)[C@@]([H])(N([H])[H])[C:11]([C:12]1:[C:13]([H:24]):[C:14]([H:25]):[C:15]([H:26]):[C:16]([H:27]):[C:17]:1[H:28])([H:29])[H:30].[H][C:9]([C:7](=[O:6])[O:8][H:23])=[O:10]
Derived Operators
EVODEX.1-F268 - Elemental Balance
| O | 2 |
| C | 2 |
| N | 1 |
| H | 5 |
EVODEX.1-M50 - Mass Difference
75.03205000000001
EVODEX.1-E1014 - Reaction Operator E
[#8:6]=[#6:7]-[#6:9](=[#8:10])-[#6:11](-[#6:12])(-[H:30])-[H:31]>>[#7](-[#6@](-[#6](=[#8])-[#8]-[H])(-[#6:11](-[#6:12])(-[H:30])-[H:31])-[H])(-[H])-[H].[#8:6]=[#6:7]-[#6:9](=[#8:10])-[H]
EVODEX.1-C459 - Reaction Operator C
[#6:6]-[#6:7]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6:6].[H]-[#6:7]
EVODEX.1-N557 - Reaction Operator N
[#6:5]-[#6:6](-[#6:7](=[#8:8])-[#6:9])(-[H:18])-[H:19]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6:6](-[#6:5])(-[H:18])-[H:19].[H]-[#6:7](=[#8:8])-[#6:9]
EVODEX.1-Em548 - Reaction Operator Em
[#6:5]-[#6:6]-[#6:7](=[#8:8])-[#6:9]=[#8:10]>>[#6]-[#6](-[H])(-[#7])-[#6:6]-[#6:5].[H]-[#6:7](=[#8:8])-[#6:9]=[#8:10]
EVODEX.1-Nm495 - Reaction Operator Nm
[#6:5]-[#6:6]-[#6:7](=[#8:8])-[#6:9]>>[#6]-[#6](-[H])(-[#7])-[#6:6]-[#6:5].[H]-[#6:7](=[#8:8])-[#6:9]
Source Full Reactions
EVODEX.1-R3790
[H][C:2]([N:1]([H:21])[H:22])([C:3](=[O:4])[O:5][H:18])[H:19].[O:6]=[C:7]([O:8][H:23])[C:9](=[O:10])[C:11]([C:12]1:[C:13]([H:24]):[C:14]([H:25]):[C:15]([H:26]):[C:16]([H:27]):[C:17]:1[H:28])([H:29])[H:30]>>[N:1]([C@:2]([C:3](=[O:4])[O:5][H:18])([C:11]([C:12]1:[C:13]([H:24]):[C:14]([H:25]):[C:15]([H:26]):[C:16]([H:27]):[C:17]:1[H:28])([H:29])[H:30])[H:19])([H:21])[H:22].[H][C:9]([C:7](=[O:6])[O:8][H:23])=[O:10]