SMIRKS
[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(C(=O)O[H])[N:1]([H:37])[H:38].O=[C:14]([C:12](=[O:11])[O:13][H:39])[C:16]([C:17]1:[C:18]([H:40]):[C:19]([N+:20](=[O:21])[O-:22]):[C:23]([O:24][H:41]):[C:25]([N+:26](=[O:27])[O-:28]):[C:29]:1[H:42])([H:43])[H:44]>>[H][C@@:14]([N:1]([H:37])[H:38])([C:12](=[O:11])[O:13][H:39])[C:16]([C:17]1:[C:18]([H:40]):[C:19]([N+:20](=[O:21])[O-:22]):[C:23]([O:24][H:41]):[C:25]([N+:26](=[O:27])[O-:28]):[C:29]:1[H:42])([H:43])[H:44]
Derived Operators
EVODEX.1-F59 - Elemental Balance
| C | -5 |
| O | -5 |
| H | -6 |
EVODEX.1-M57 - Mass Difference
-146.02147999999997
EVODEX.1-C66 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#8]-[H])-[#7:1].[#8]=[#6:14]>>[H]-[#6@:14]-[#7:1]
EVODEX.1-N52 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#8]-[H])-[#7:1](-[H:30])-[H:31].[#8]=[#6:14](-[#6:12])-[#6:16]>>[H]-[#6@:14](-[#7:1](-[H:30])-[H:31])(-[#6:12])-[#6:16]
EVODEX.1-Em19 - Reaction Operator Em
[#6]-[#6](-[H])(-[#6])-[#7:5].[#8]=[#6:15](-[#6:14])-[#6:17]=[#8:18]>>[H]-[#6:15](-[#7:5])(-[#6:14])-[#6:17]=[#8:18]
EVODEX.1-Nm15 - Reaction Operator Nm
[#6]-[#6](-[H])(-[#6])-[#7:5].[#8]=[#6:15](-[#6:14])-[#6:17]>>[H]-[#6:15](-[#7:5])(-[#6:14])-[#6:17]
Source Full Reactions
EVODEX.1-R3623
[H][C@:2]([N:1]([H:37])[H:38])([C:3]([C:4]([C:5](=[O:6])[O:7][H:30])([H:31])[H:32])([H:33])[H:34])[C:8](=[O:9])[O:10][H:35].[O:11]=[C:12]([O:13][H:39])[C:14](=[O:15])[C:16]([C:17]1:[C:18]([H:40]):[C:19]([N+:20](=[O:21])[O-:22]):[C:23]([O:24][H:41]):[C:25]([N+:26](=[O:27])[O-:28]):[C:29]:1[H:42])([H:43])[H:44]>>[C:2]([C:3]([C:4]([C:5](=[O:6])[O:7][H:30])([H:31])[H:32])([H:33])[H:34])([C:8](=[O:9])[O:10][H:35])=[O:15].[H][C@@:14]([N:1]([H:37])[H:38])([C:12](=[O:11])[O:13][H:39])[C:16]([C:17]1:[C:18]([H:40]):[C:19]([N+:20](=[O:21])[O-:22]):[C:23]([O:24][H:41]):[C:25]([N+:26](=[O:27])[O-:28]):[C:29]:1[H:42])([H:43])[H:44]