SMIRKS
[H]N([H])[C@@:2]([C:3]([H])([C:4]1:[C:5]([H:14]):[C:6]([H:15]):[C:7]([O:8][H:16]):[C:9]([H:17]):[C:10]:1[H:18])[H:19])([C:11](=[O:12])[O:13][H:21])[H:22]>>[C:2](=[C:3]([C:4]1:[C:5]([H:14]):[C:6]([H:15]):[C:7]([O:8][H:16]):[C:9]([H:17]):[C:10]:1[H:18])[H:19])([C:11](=[O:12])[O:13][H:21])[H:22]
Derived Operators
EVODEX.1-F73 - Elemental Balance
| N | -1 |
| H | -3 |
EVODEX.1-M12 - Mass Difference
-17.02659
EVODEX.1-E629 - Reaction Operator E
[#7](-[#6@@:2](-[#6:3](-[#6:4])(-[H:22])-[H])(-[#6:13]=[#8:14])-[H:25])(-[H])-[H]>>[#6:2](=[#6:3](-[#6:4])-[H:22])(-[#6:13]=[#8:14])-[H:25]
EVODEX.1-N957 - Reaction Operator N
[H]-[#7](-[H])-[#6:2](-[#6:3](-[H])(-[#6:4])-[H:17])(-[#6:10])-[H:20]>>[#6:2](=[#6:3](-[#6:4])-[H:17])(-[#6:10])-[H:20]
EVODEX.1-Em775 - Reaction Operator Em
[H]-[#7](-[H])-[#6:2](-[#6:3](-[H])-[#6:4])-[#6:10]=[#8:11]>>[#6:2](=[#6:3]-[#6:4])-[#6:10]=[#8:11]
EVODEX.1-Nm696 - Reaction Operator Nm
[H]-[#7](-[H])-[#6:2](-[#6:3](-[H])-[#6:4])-[#6:10]>>[#6:2](=[#6:3]-[#6:4])-[#6:10]
Source Full Reactions
EVODEX.1-R7070
[H][C:3]([C@:2]([N:1]([H:23])[H:24])([C:11](=[O:12])[O:13][H:21])[H:22])([C:4]1:[C:5]([H:14]):[C:6]([H:15]):[C:7]([O:8][H:16]):[C:9]([H:17]):[C:10]:1[H:18])[H:19]>>[C:2](=[C:3]([C:4]1:[C:5]([H:14]):[C:6]([H:15]):[C:7]([O:8][H:16]):[C:9]([H:17]):[C:10]:1[H:18])[H:19])([C:11](=[O:12])[O:13][H:21])[H:22].[H][N:1]([H:23])[H:24]