SMIRKS
[C:1]([C@:2]([C:3](=[O:4])[H:22])([N:5]([C:6](=[O:7])[O:8][C:9]([C:10]1:[C:11]([H:23]):[C:12]([H:24]):[C:13]([H:25]):[C:14]([H:26]):[C:15]:1[H:27])([H:28])[H:29])[H:30])[H:31])([H:32])([H:33])[H:34]>>[H]OC([H])([H])C(=O)C([H])(O[H])[C:3]([C@@:2]([C:1]([H:32])([H:33])[H:34])([N:5]([C:6](=[O:7])[O:8][C:9]([C:10]1:[C:11]([H:23]):[C:12]([H:24]):[C:13]([H:25]):[C:14]([H:26]):[C:15]:1[H:27])([H:28])[H:29])[H:30])[H:31])([O:4][H])[H:22]
Derived Operators
EVODEX.1-F54 - Elemental Balance
| O | 3 |
| C | 3 |
| H | 6 |
EVODEX.1-M213 - Mass Difference
90.03168000000001
EVODEX.1-E576 - Reaction Operator E
[#8:7]=[#6:8](-[#6:9])-[H:23]>>[#8]=[#6](-[#6@](-[#8]-[H])(-[#6:8](-[#8:7]-[H])(-[#6:9])-[H:23])-[H])-[#6](-[#8]-[H])(-[H])-[H]
EVODEX.1-C1142 - Reaction Operator C
[#6:5](-[#6@:4])=[#8:6]>>[H]-[#8]-[#6](-[H])(-[H])-[#6](=[#8])-[#6](-[H])(-[#8]-[H])-[#6:5](-[#6@@:4])-[#8:6]-[H]
EVODEX.1-N1416 - Reaction Operator N
[#6:2]-[#6@:4](-[#6:5](=[#8:6])-[H:27])(-[#7:7])-[H:36]>>[H]-[#8]-[#6](-[H])(-[H])-[#6](=[#8])-[#6](-[H])(-[#8]-[H])-[#6:5](-[#6@@:4](-[#6:2])(-[#7:7])-[H:36])(-[#8:6]-[H])-[H:27]
EVODEX.1-Em72 - Reaction Operator Em
[#8:7]=[#6:8]-[#6:9]>>[#6]-[#6](-[H])(-[#8])-[#6:8](-[#8:7]-[H])-[#6:9]
EVODEX.1-Nm86 - Reaction Operator Nm
[#8:7]=[#6:8]-[#6:9]>>[#6]-[#6](-[H])(-[#8])-[#6:8](-[#8:7]-[H])-[#6:9]
Source Full Reactions
EVODEX.1-R6856
[C:1]([C@:2]([C:3](=[O:4])[H:22])([N:5]([C:6](=[O:7])[O:8][C:9]([C:10]1:[C:11]([H:23]):[C:12]([H:24]):[C:13]([H:25]):[C:14]([H:26]):[C:15]:1[H:27])([H:28])[H:29])[H:30])[H:31])([H:32])([H:33])[H:34].[H][C:18]([C:17](=[O:16])[C:20]([O:21][H:38])([H:39])[H:40])([O:19][H:35])[H:36]>>[H][O:4][C:3]([C@@:2]([C:1]([H:32])([H:33])[H:34])([N:5]([C:6](=[O:7])[O:8][C:9]([C:10]1:[C:11]([H:23]):[C:12]([H:24]):[C:13]([H:25]):[C:14]([H:26]):[C:15]:1[H:27])([H:28])[H:29])[H:30])[H:31])([C:18]([C:17](=[O:16])[C:20]([O:21][H:38])([H:39])[H:40])([O:19][H:35])[H:36])[H:22]