SMIRKS
[H]OC(=O)[C@@]1([H])N([C:6]([C@:4]([C@@:2]([C:1]([H:30])([H:31])[H:32])([O:3][H:17])[H:29])([N:5]([H:18])[H:19])[H:28])=[O:7])C([H])([H])C([H])([H])C1([H])[H].[H][O:16][H:33]>>[C:1]([C@@:2]([O:3][H:17])([C@:4]([N:5]([H:18])[H:19])([C:6](=[O:7])[O:16][H:33])[H:28])[H:29])([H:30])([H:31])[H:32]
Derived Operators
EVODEX.1-F255 - Elemental Balance
| O | -2 |
| C | -5 |
| N | -1 |
| H | -9 |
EVODEX.1-M307 - Mass Difference
-115.06337
EVODEX.1-E983 - Reaction Operator E
[#8]=[#6](-[#8]-[H])-[#6]1(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#7]-1-[#6:10](=[#8:11])-[#6:12].[#8:1](-[H:24])-[H]>>[#8:1](-[#6:10](=[#8:11])-[#6:12])-[H:24]
EVODEX.1-C586 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@@]1(-[H])-[#7](-[#6:55])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6]-1(-[H])-[H].[H]-[#8:65]>>[#6:55]-[#8:65]
EVODEX.1-N742 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@@]1(-[H])-[#7](-[#6:55](-[#6@@:48])=[#8:56])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6]-1(-[H])-[H].[H]-[#8:65]-[H:128]>>[#6:55](-[#6@@:48])(=[#8:56])-[#8:65]-[H:128]
EVODEX.1-Em52 - Reaction Operator Em
[#6]-[#7](-[#6:55](-[#6:48])=[#8:56])-[#6].[H]-[#8:65]>>[#6:48]-[#6:55](=[#8:56])-[#8:65]
EVODEX.1-Nm59 - Reaction Operator Nm
[#6]-[#7](-[#6:55](-[#6:48])=[#8:56])-[#6].[H]-[#8:65]>>[#6:48]-[#6:55](=[#8:56])-[#8:65]
Source Full Reactions
EVODEX.1-R5598
[C:1]([C@@:2]([O:3][H:17])([C@:4]([N:5]([H:18])[H:19])([C:6](=[O:7])[N:8]1[C:9]([H:20])([H:21])[C:10]([H:22])([H:23])[C:11]([H:24])([H:25])[C@:12]1([C:13](=[O:14])[O:15][H:26])[H:27])[H:28])[H:29])([H:30])([H:31])[H:32].[H][O:16][H:33]>>[C:1]([C@@:2]([O:3][H:17])([C@:4]([N:5]([H:18])[H:19])([C:6](=[O:7])[O:16][H:33])[H:28])[H:29])([H:30])([H:31])[H:32].[H][N:8]1[C:9]([H:20])([H:21])[C:10]([H:22])([H:23])[C:11]([H:24])([H:25])[C@:12]1([C:13](=[O:14])[O:15][H:26])[H:27]