SMIRKS
[H]OC(=O)[C@@]([H])(N([H])[C:7]([C@@:5]([N:4]([C:2]([C:1]([H:31])([H:32])[H:33])=[O:3])[H:30])([C:6]([H:18])([H:19])[H:20])[H:29])=[O:8])[C@]([H])(O[H])C([H])([H])[H]>>[H]O[C:7]([C@@:5]([N:4]([C:2]([C:1]([H:31])([H:32])[H:33])=[O:3])[H:30])([C:6]([H:18])([H:19])[H:20])[H:29])=[O:8]
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-R5741
[C:1]([C:2](=[O:3])[N:4]([C@@:5]([C:6]([H:18])([H:19])[H:20])([C:7](=[O:8])[N:9]([C@:10]([C:11](=[O:12])[O:13][H:21])([C@@:14]([C:15]([H:22])([H:23])[H:24])([O:16][H:25])[H:26])[H:27])[H:28])[H:29])[H:30])([H:31])([H:32])[H:33].[H][O:17][H:34]>>[C:1]([C:2](=[O:3])[N:4]([C@@:5]([C:6]([H:18])([H:19])[H:20])([C:7](=[O:8])[O:17][H:34])[H:29])[H:30])([H:31])([H:32])[H:33].[H][N:9]([C@:10]([C:11](=[O:12])[O:13][H:21])([C@@:14]([C:15]([H:22])([H:23])[H:24])([O:16][H:25])[H:26])[H:27])[H:28]