SMIRKS
[H]N([H])[C:8]([C:7]([C:6]([C@:5]([N:4]([C:2]([C:1]([H:24])([H:25])[H:26])=[O:3])[H:23])([C:11](=[O:12])[O:13][H:21])[H:22])([H:19])[H:20])([H:17])[H:18])=[O:10].[H][O:14][H:27]>>[C:1]([C:2](=[O:3])[N:4]([C@@:5]([C:6]([C:7]([C:8](=[O:10])[O:14][H:27])([H:17])[H:18])([H:19])[H:20])([C:11](=[O:12])[O:13][H:21])[H:22])[H:23])([H:24])([H:25])[H:26]
Derived Operators
EVODEX.1-F73 - Elemental Balance
| N | -1 |
| H | -3 |
EVODEX.1-M12 - Mass Difference
-17.02659
EVODEX.1-E626 - Reaction Operator E
[#6:6]-[#6:7](-[#7](-[H])-[H])=[#8:9].[#8:10](-[H:21])-[H]>>[#6:6]-[#6:7](=[#8:9])-[#8:10]-[H:21]
EVODEX.1-C1439 - Reaction Operator C
([H]-[#7](-[H])-[#6:8].[#6@:5]).[H]-[#8:14]>>([#6:8]-[#8:14].[#6@@:5])
EVODEX.1-N1835 - Reaction Operator N
[H]-[#7](-[H])-[#6:8](-[#6:7]-[#6:6]-[#6@:5](-[#7:4])(-[#6:11])-[H:22])=[#8:10].[H]-[#8:14]-[H:27]>>[#7:4]-[#6@@:5](-[#6:6]-[#6:7]-[#6:8](=[#8:10])-[#8:14]-[H:27])(-[#6:11])-[H:22]
EVODEX.1-Em641 - Reaction Operator Em
[H]-[#7](-[H])-[#6:8](-[#6:7])=[#8:10].[H]-[#8:14]>>[#6:7]-[#6:8](=[#8:10])-[#8:14]
EVODEX.1-Nm576 - Reaction Operator Nm
[H]-[#7](-[H])-[#6:8](-[#6:7])=[#8:10].[H]-[#8:14]>>[#6:7]-[#6:8](=[#8:10])-[#8:14]
Source Full Reactions
EVODEX.1-R6406
[C:1]([C:2](=[O:3])[N:4]([C@@:5]([C:6]([C:7]([C:8]([N:9]([H:15])[H:16])=[O:10])([H:17])[H:18])([H:19])[H:20])([C:11](=[O:12])[O:13][H:21])[H:22])[H:23])([H:24])([H:25])[H:26].[H][O:14][H:27]>>[C:1]([C:2](=[O:3])[N:4]([C@@:5]([C:6]([C:7]([C:8](=[O:10])[O:14][H:27])([H:17])[H:18])([H:19])[H:20])([C:11](=[O:12])[O:13][H:21])[H:22])[H:23])([H:24])([H:25])[H:26].[H][N:9]([H:15])[H:16]