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]:[C:14]([H:34]):[N:15]:2[C@:16]1([H:35])[O:17][C@@:18]([C:19]([O:20][P:21](=[O:22])([O:23][H:36])[O:24][H:37])([H:38])[H:39])([H:40])[C@:25]([O:26][H:41])([H:42])[C@:27]1([O:28][H:43])[H:44])[H:45]>>[H][N:6]([C:7]1:[N:8]:[C:9]([H:33]):[N:10]:[C:11]2:[C:12]:1:[N:13]:[C:14]([H:34]):[N:15]:2[C@:16]1([H:35])[O:17][C@@:18]([C:19]([O:20][P:21](=[O:22])([O:23][H:36])[O:24][H:37])([H:38])[H:39])([H:40])[C@:25]([O:26][H:41])([H:42])[C@:27]1([O:28][H:43])[H:44])[H:45]
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-R7092
[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]:[C:14]([H:34]):[N:15]:2[C@:16]1([H:35])[O:17][C@@:18]([C:19]([O:20][P:21](=[O:22])([O:23][H:36])[O:24][H:37])([H:38])[H:39])([H:40])[C@:25]([O:26][H:41])([H:42])[C@:27]1([O:28][H:43])[H:44])[H:45])([C:29](=[O:30])[O:31][H:46])[H:47])[H:48]>>[H][N:6]([C:7]1:[N:8]:[C:9]([H:33]):[N:10]:[C:11]2:[C:12]:1:[N:13]:[C:14]([H:34]):[N:15]:2[C@:16]1([H:35])[O:17][C@@:18]([C:19]([O:20][P:21](=[O:22])([O:23][H:36])[O:24][H:37])([H:38])[H:39])([H:40])[C@:25]([O:26][H:41])([H:42])[C@:27]1([O:28][H:43])[H:44])[H:45].[O:1]=[C:2]([O:3][H:32])[C:4](=[C:5]([C:29](=[O:30])[O:31][H:46])[H:47])[H:48]