SMIRKS
[H]OC(=O)[C@@]([H])(N([H])[C:6](=[O:7])[C@:8]1([H:19])[C:9]([H:20])([H:21])[C:10]([H:22])([H:23])[C:11](=[O:12])[N:13]1[H:24])[C@]([H])(O[H])C([H])([H])[H]>>[H]O[C:6](=[O:7])[C@:8]1([H:19])[C:9]([H:20])([H:21])[C:10]([H:22])([H:23])[C:11](=[O:12])[N:13]1[H:24]
Derived Operators
EVODEX.1-F310 - Elemental Balance
| O | -2 |
| C | -4 |
| N | -1 |
| H | -7 |
EVODEX.1-M85 - Mass Difference
-101.04771
EVODEX.1-E984 - Reaction Operator E
[#6](-[#6@@](-[#8]-[H])(-[#6@](-[#7](-[#6:6](=[#8:7])-[#6:8])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H])(-[H])(-[H])-[H]>>[#6:6](=[#8:7])(-[#6:8])-[#8]-[H]
EVODEX.1-C624 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:6])-[#6@](-[H])(-[#8]-[H])-[#6](-[H])(-[H])-[H]>>[H]-[#8]-[#6:6]
EVODEX.1-N779 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:6](=[#8:7])-[#6:8])-[#6@](-[H])(-[#8]-[H])-[#6](-[H])(-[H])-[H]>>[H]-[#8]-[#6:6](=[#8:7])-[#6:8]
EVODEX.1-Em3 - Reaction Operator Em
[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43]>>[H]-[#8]-[#6:42](-[#6:40])=[#8:43]
EVODEX.1-Nm3 - Reaction Operator Nm
[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43]>>[H]-[#8]-[#6:42](-[#6:40])=[#8:43]
Source Full Reactions
EVODEX.1-R5754
[C:1]([C@@:2]([O:3][H:18])([C@:4]([N:5]([C:6](=[O:7])[C@:8]1([H:19])[C:9]([H:20])([H:21])[C:10]([H:22])([H:23])[C:11](=[O:12])[N:13]1[H:24])[H:25])([C:14](=[O:15])[O:16][H:26])[H:27])[H:28])([H:29])([H:30])[H:31].[H][O:17][H:32]>>[C:6](=[O:7])([C@:8]1([H:19])[C:9]([H:20])([H:21])[C:10]([H:22])([H:23])[C:11](=[O:12])[N:13]1[H:24])[O:17][H:32].[H][N:5]([C@@:4]([C@@:2]([C:1]([H:29])([H:30])[H:31])([O:3][H:18])[H:28])([C:14](=[O:15])[O:16][H:26])[H:27])[H:25]