SMIRKS
[H]OC(=O)C([H])([H])N([H])[C:8]([C@:6]([C:5]([C:4]([C:3]([C:2]([N:1]([H:31])[H:32])([H:29])[H:30])([H:27])[H:28])([H:25])[H:26])([H:23])[H:24])([N:7]([H:16])[H:17])[H:22])=[O:9]>>[H]O[C:8]([C@:6]([C:5]([C:4]([C:3]([C:2]([N:1]([H:31])[H:32])([H:29])[H:30])([H:27])[H:28])([H:25])[H:26])([H:23])[H:24])([N:7]([H:16])[H:17])[H:22])=[O:9]
Derived Operators
EVODEX.1-F262 - Elemental Balance
| O | -1 |
| C | -2 |
| N | -1 |
| H | -3 |
EVODEX.1-M86 - Mass Difference
-57.02149000000001
EVODEX.1-E994 - Reaction Operator E
[#6:42](-[#6@:40])(=[#8:43])-[#7](-[#6](-[#6](=[#8])-[#8]-[H])(-[H])-[H])-[H]>>[#6:42](-[#6@:40])(=[#8:43])-[#8]-[H]
EVODEX.1-C518 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6:5]>>[H]-[#8]-[#6:5]
EVODEX.1-N656 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6:5](-[#6:4])=[#8:6]>>[H]-[#8]-[#6:5](-[#6:4])=[#8:6]
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-R5434
[N:1]([C:2]([C:3]([C:4]([C:5]([C@:6]([N:7]([H:16])[H:17])([C:8](=[O:9])[N:10]([C:11]([C:12](=[O:13])[O:14][H:18])([H:19])[H:20])[H:21])[H:22])([H:23])[H:24])([H:25])[H:26])([H:27])[H:28])([H:29])[H:30])([H:31])[H:32].[H][O:15][H:33]>>[H][N:10]([C:11]([C:12](=[O:13])[O:14][H:18])([H:19])[H:20])[H:21].[N:1]([C:2]([C:3]([C:4]([C:5]([C@:6]([N:7]([H:16])[H:17])([C:8](=[O:9])[O:15][H:33])[H:22])([H:23])[H:24])([H:25])[H:26])([H:27])[H:28])([H:29])[H:30])([H:31])[H:32]