SMIRKS
[H]N([H])C([H])([H])C(=O)[N:5]1[C:6]([H:18])([H:19])[C:7]([H:20])([H:21])[C:8]([H:22])([H:23])[C@:9]1([C:10](=[O:11])[N:12]([C:13]([C:14](=[O:15])[O:16][H:24])([H:25])[H:26])[H:27])[H:28]>>[H][N:5]1[C:6]([H:18])([H:19])[C:7]([H:20])([H:21])[C:8]([H:22])([H:23])[C@:9]1([C:10](=[O:11])[N:12]([C:13]([C:14](=[O:15])[O:16][H:24])([H:25])[H:26])[H:27])[H:28]
Derived Operators
EVODEX.1-F262 - Elemental Balance
| O | -1 |
| C | -2 |
| N | -1 |
| H | -3 |
EVODEX.1-M86 - Mass Difference
-57.02149000000001
EVODEX.1-E993 - Reaction Operator E
[#6:12]-[#7:13](-[#6@:9])-[#6](=[#8])-[#6](-[#7](-[H])-[H])(-[H])-[H]>>[#6:12]-[#7:13](-[#6@:9])-[H]
EVODEX.1-C133 - Reaction Operator C
[H]-[#7](-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:22]>>[H]-[#7:22]
EVODEX.1-N750 - Reaction Operator N
[H]-[#7](-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:5](-[#6:6])-[#6@:9]>>[H]-[#7:5](-[#6:6])-[#6@:9]
EVODEX.1-Em127 - Reaction Operator Em
[#6]-[#6](=[#8])-[#7:5](-[#6:6])-[#6:9]>>[H]-[#7:5](-[#6:6])-[#6:9]
EVODEX.1-Nm161 - Reaction Operator Nm
[#6]-[#6](=[#8])-[#7:5](-[#6:6])-[#6:9]>>[H]-[#7:5](-[#6:6])-[#6:9]
Source Full Reactions
EVODEX.1-R5601
[N:1]([C:2]([C:3](=[O:4])[N:5]1[C:6]([H:18])([H:19])[C:7]([H:20])([H:21])[C:8]([H:22])([H:23])[C@:9]1([C:10](=[O:11])[N:12]([C:13]([C:14](=[O:15])[O:16][H:24])([H:25])[H:26])[H:27])[H:28])([H:29])[H:30])([H:31])[H:32].[H][O:17][H:33]>>[N:1]([C:2]([C:3](=[O:4])[O:17][H:33])([H:29])[H:30])([H:31])[H:32].[H][N:5]1[C:6]([H:18])([H:19])[C:7]([H:20])([H:21])[C:8]([H:22])([H:23])[C@:9]1([C:10](=[O:11])[N:12]([C:13]([C:14](=[O:15])[O:16][H:24])([H:25])[H:26])[H:27])[H:28]