SMIRKS
[H]OC(=O)[C@]([H])(N([H])[C:3]([C:2]([C:1]([H:29])([H:30])[H:31])([H:27])[H:28])=[O:4])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]>>[H]O[C:3]([C:2]([C:1]([H:29])([H:30])[H:31])([H:27])[H:28])=[O:4]
Derived Operators
EVODEX.1-F252 - Elemental Balance
| O | -1 |
| C | -6 |
| N | -1 |
| H | -11 |
EVODEX.1-M83 - Mass Difference
-113.08413
EVODEX.1-E979 - Reaction Operator E
[#6:2]-[#6:3](=[#8:4])-[#7](-[#6@](-[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H]>>[#6:2]-[#6:3](=[#8:4])-[#8]-[H]
EVODEX.1-C545 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@](-[H])(-[#7](-[H])-[#6:3])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H]>>[H]-[#8]-[#6:3]
EVODEX.1-N696 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@](-[H])(-[#7](-[H])-[#6:3](-[#6:2])=[#8:4])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H]>>[H]-[#8]-[#6:3](-[#6:2])=[#8:4]
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-R6480
[C:1]([C:2]([C:3](=[O:4])[N:5]([C@:6]([C:7]([C:8]([C:9]([H:15])([H:16])[H:17])([C:10]([H:18])([H:19])[H:20])[H:21])([H:22])[H:23])([C:11](=[O:12])[O:13][H:24])[H:25])[H:26])([H:27])[H:28])([H:29])([H:30])[H:31].[H][O:14][H:32]>>[C:1]([C:2]([C:3](=[O:4])[O:14][H:32])([H:27])[H:28])([H:29])([H:30])[H:31].[H][N:5]([C@:6]([C:7]([C:8]([C:9]([H:15])([H:16])[H:17])([C:10]([H:18])([H:19])[H:20])[H:21])([H:22])[H:23])([C:11](=[O:12])[O:13][H:24])[H:25])[H:26]