SMIRKS
[H]OC(=O)C([H])([H])N([H])[C:19]([C@@:2]([C:1]([H:48])([H:49])[H:50])([N:3]([C:4](=[O:5])[C:6]([C:7]([C:8]([C:9]([C@:10]([N:11]([C:12](=[O:13])[C:14]([N:15]([H:27])[H:28])([H:29])[H:30])[H:31])([C:16](=[O:17])[O:18][H:32])[H:33])([H:34])[H:35])([H:36])[H:37])([H:38])[H:39])([H:40])[H:41])[H:42])[H:47])=[O:20]>>[H]O[C:19]([C@@:2]([C:1]([H:48])([H:49])[H:50])([N:3]([C:4](=[O:5])[C:6]([C:7]([C:8]([C:9]([C@:10]([N:11]([C:12](=[O:13])[C:14]([N:15]([H:27])[H:28])([H:29])[H:30])[H:31])([C:16](=[O:17])[O:18][H:32])[H:33])([H:34])[H:35])([H:36])[H:37])([H:38])[H:39])([H:40])[H:41])[H:42])[H:47])=[O:20]
Derived Operators
EVODEX.1-F262 - Elemental Balance
| O | -1 |
| C | -2 |
| N | -1 |
| H | -3 |
EVODEX.1-M86 - Mass Difference
-57.02149000000001
EVODEX.1-E994 - Reaction Operator E
[#6:42](-[#6@:40])(=[#8:43])-[#7](-[#6](-[#6](=[#8])-[#8]-[H])(-[H])-[H])-[H]>>[#6:42](-[#6@:40])(=[#8:43])-[#8]-[H]
EVODEX.1-C518 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6:5]>>[H]-[#8]-[#6:5]
EVODEX.1-N656 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6:5](-[#6:4])=[#8:6]>>[H]-[#8]-[#6:5](-[#6:4])=[#8:6]
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-R5668
[C:1]([C@@:2]([N:3]([C:4](=[O:5])[C:6]([C:7]([C:8]([C:9]([C@:10]([N:11]([C:12](=[O:13])[C:14]([N:15]([H:27])[H:28])([H:29])[H:30])[H:31])([C:16](=[O:17])[O:18][H:32])[H:33])([H:34])[H:35])([H:36])[H:37])([H:38])[H:39])([H:40])[H:41])[H:42])([C:19](=[O:20])[N:21]([C:22]([C:23](=[O:24])[O:25][H:43])([H:44])[H:45])[H:46])[H:47])([H:48])([H:49])[H:50].[H][O:26][H:51]>>[C:1]([C@@:2]([N:3]([C:4](=[O:5])[C:6]([C:7]([C:8]([C:9]([C@:10]([N:11]([C:12](=[O:13])[C:14]([N:15]([H:27])[H:28])([H:29])[H:30])[H:31])([C:16](=[O:17])[O:18][H:32])[H:33])([H:34])[H:35])([H:36])[H:37])([H:38])[H:39])([H:40])[H:41])[H:42])([C:19](=[O:20])[O:26][H:51])[H:47])([H:48])([H:49])[H:50].[H][N:21]([C:22]([C:23](=[O:24])[O:25][H:43])([H:44])[H:45])[H:46]