SMIRKS
[H]OC(=O)C([H])([H])[C@@]([H])(C(=O)O[H])N([H])[C:4]([C@:2]([C:1]([H:25])([H:26])[H:27])([N:3]([H:16])[H:17])[H:24])=[O:5].[H][O:15][H:28]>>[C:1]([C@:2]([N:3]([H:16])[H:17])([C:4](=[O:5])[O:15][H:28])[H:24])([H:25])([H:26])[H:27]
Derived Operators
EVODEX.1-F435 - Elemental Balance
| O | -4 |
| C | -4 |
| N | -1 |
| H | -7 |
EVODEX.1-M184 - Mass Difference
-133.03751
EVODEX.1-E1238 - Reaction Operator E
[#8]=[#6](-[#8]-[H])-[#6](-[#6@](-[#7](-[#6:8](=[#8:9])-[#6:10])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])-[H].[#8:1](-[H:23])-[H]>>[#8:1](-[#6:8](=[#8:9])-[#6:10])-[H:23]
EVODEX.1-C568 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#8]-[H])-[#7](-[H])-[#6:8].[H]-[#8:1]>>[#8:1]-[#6:8]
EVODEX.1-N721 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#8]-[H])-[#7](-[H])-[#6:8](=[#8:9])-[#6:10].[H]-[#8:1]-[H:37]>>[#8:1](-[#6:8](=[#8:9])-[#6:10])-[H:37]
EVODEX.1-Em2 - Reaction Operator Em
[H]-[#7](-[#6])-[#6:4](-[#6:3])=[#8:5].[H]-[#8:13]>>[#6:3]-[#6:4](=[#8:5])-[#8:13]
EVODEX.1-Nm2 - Reaction Operator Nm
[H]-[#7](-[#6])-[#6:4](-[#6:3])=[#8:5].[H]-[#8:13]>>[#6:3]-[#6:4](=[#8:5])-[#8:13]
Source Full Reactions
EVODEX.1-R5452
[C:1]([C@:2]([N:3]([H:16])[H:17])([C:4](=[O:5])[N:6]([C@@:7]([C:8]([C:9](=[O:10])[O:11][H:18])([H:19])[H:20])([C:12](=[O:13])[O:14][H:21])[H:22])[H:23])[H:24])([H:25])([H:26])[H:27].[H][O:15][H:28]>>[C:1]([C@:2]([N:3]([H:16])[H:17])([C:4](=[O:5])[O:15][H:28])[H:24])([H:25])([H:26])[H:27].[H][N:6]([C@@:7]([C:8]([C:9](=[O:10])[O:11][H:18])([H:19])[H:20])([C:12](=[O:13])[O:14][H:21])[H:22])[H:23]