SMIRKS
[H]OC(=O)C([H])([H])C([H])(C(=O)O[H])[N:6]([C:7]1:[N:8]:[C:9]([H:33]):[N:10]:[C:11]2:[C:12]:1:[N:13]:[N:14]:[N:15]:2[C@:16]1([H:34])[O:17][C@@:18]([C:19]([O:20][P:21](=[O:22])([O:23][H:35])[O:24][H:36])([H:37])[H:38])([H:39])[C@:25]([O:26][H:40])([H:41])[C@:27]1([O:28][H:42])[H:43])[H:44]>>[H][N:6]([C:7]1:[N:8]:[C:9]([H:33]):[N:10]:[C:11]2:[C:12]:1:[N:13]:[N:14]:[N:15]:2[C@:16]1([H:34])[O:17][C@@:18]([C:19]([O:20][P:21](=[O:22])([O:23][H:35])[O:24][H:36])([H:37])[H:38])([H:39])[C@:25]([O:26][H:40])([H:41])[C@:27]1([O:28][H:42])[H:43])[H:44]
Derived Operators
EVODEX.1-F250 - Elemental Balance
| O | -4 |
| C | -4 |
| H | -4 |
EVODEX.1-M305 - Mass Difference
-116.01092
EVODEX.1-E974 - Reaction Operator E
[#8]=[#6](-[#8]-[H])-[#6](-[#6@](-[#7:6](-[#6:7])-[H:47])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])-[H]>>[#7:6](-[#6:7])(-[H:47])-[H]
EVODEX.1-C243 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#8]-[H])-[#7:6]>>[H]-[#7:6]
EVODEX.1-N230 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#8]-[H])-[#7:6](-[#6:7])-[H:47]>>[H]-[#7:6](-[#6:7])-[H:47]
Source Full Reactions
EVODEX.1-R7094
[H][C:4]([C:2](=[O:1])[O:3][H:32])([C:5]([N:6]([C:7]1:[N:8]:[C:9]([H:33]):[N:10]:[C:11]2:[C:12]:1:[N:13]:[N:14]:[N:15]:2[C@:16]1([H:34])[O:17][C@@:18]([C:19]([O:20][P:21](=[O:22])([O:23][H:35])[O:24][H:36])([H:37])[H:38])([H:39])[C@:25]([O:26][H:40])([H:41])[C@:27]1([O:28][H:42])[H:43])[H:44])([C:29](=[O:30])[O:31][H:45])[H:46])[H:47]>>[H][N:6]([C:7]1:[N:8]:[C:9]([H:33]):[N:10]:[C:11]2:[C:12]:1:[N:13]:[N:14]:[N:15]:2[C@:16]1([H:34])[O:17][C@@:18]([C:19]([O:20][P:21](=[O:22])([O:23][H:35])[O:24][H:36])([H:37])[H:38])([H:39])[C@:25]([O:26][H:40])([H:41])[C@:27]1([O:28][H:42])[H:43])[H:44].[O:1]=[C:2]([O:3][H:32])[C:4](=[C:5]([C:29](=[O:30])[O:31][H:45])[H:46])[H:47]