SMIRKS
[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:40])([H:41])[H:42])([H:38])[H:39])([H:36])[H:37])([H:34])[H:35])([H:32])[H:33])=[O:7]>>[H]O[C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:40])([H:41])[H:42])([H:38])[H:39])([H:36])[H:37])([H:34])[H:35])([H:32])[H:33])=[O:7]
Derived Operators
EVODEX.1-F267 - Elemental Balance
| O | -1 |
| C | -6 |
| N | -2 |
| H | -12 |
EVODEX.1-M84 - Mass Difference
-128.09506000000002
EVODEX.1-E1010 - Reaction Operator E
[#7](-[#6@@](-[#6](-[#6](-[#6](-[#6](-[#7](-[#6:8](=[#8:9])-[#6:10])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])-[H]>>[#6:8](=[#8:9])(-[#6:10])-[#8]-[H]
EVODEX.1-C690 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#7](-[H])-[#6:8]>>[H]-[#8]-[#6:8]
EVODEX.1-N851 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#7](-[H])-[#6:8](=[#8:9])-[#6:10]>>[H]-[#8]-[#6:8](=[#8:9])-[#6:10]
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-R6294
[C:1]([C:2]([C:3]([C:4]([C:5]([C:6](=[O:7])[N:8]([C:9]([C:10]([C:11]([C:12]([C@:13]([N:14]([H:19])[H:20])([C:15](=[O:16])[O:17][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:33])([H:34])[H:35])([H:36])[H:37])([H:38])[H:39])([H:40])([H:41])[H:42].[H][O:18][H:43]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6](=[O:7])[O:18][H:43])([H:32])[H:33])([H:34])[H:35])([H:36])[H:37])([H:38])[H:39])([H:40])([H:41])[H:42].[H][N:8]([C:9]([C:10]([C:11]([C:12]([C@:13]([N:14]([H:19])[H:20])([C:15](=[O:16])[O:17][H:21])[H:22])([H:23])[H:24])([H:25])[H:26])([H:27])[H:28])([H:29])[H:30])[H:31]