SMIRKS
[H]OC(=O)[C@@]([H])(N([H])[C:7](=[O:8])[C@@:9]([N:10]([H:25])[H:26])([C:11]([C:12]([C:13]([N:14]([C:15](=[N:16][H:27])[N:17]([H:28])[H:29])[H:30])([H:31])[H:32])([H:33])[H:34])([H:35])[H:36])[H:37])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H]>>[H]O[C:7](=[O:8])[C@@:9]([N:10]([H:25])[H:26])([C:11]([C:12]([C:13]([N:14]([C:15](=[N:16][H:27])[N:17]([H:28])[H:29])[H:30])([H:31])[H:32])([H:33])[H:34])([H:35])[H:36])[H:37]
Derived Operators
EVODEX.1-F252 - Elemental Balance
| O | -1 |
| C | -6 |
| N | -1 |
| H | -11 |
EVODEX.1-M83 - Mass Difference
-113.08413
EVODEX.1-E970 - Reaction Operator E
[#6](-[#6](-[#6@@](-[#6](-[H])(-[H])-[H])(-[#6@](-[#7](-[#6:7](-[#6:8])=[#8:9])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H])(-[H])-[H])(-[H])(-[H])-[H]>>[#6:7](-[#6:8])(=[#8:9])-[#8]-[H]
EVODEX.1-C555 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:7])-[#6@@](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H]>>[H]-[#8]-[#6:7]
EVODEX.1-N708 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:7](=[#8:8])-[#6:9])-[#6@@](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H]>>[H]-[#8]-[#6:7](=[#8:8])-[#6:9]
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-R5421
[C:1]([C:2]([C@:3]([C:4]([H:22])([H:23])[H:24])([C@:5]([N:6]([C:7](=[O:8])[C@@:9]([N:10]([H:25])[H:26])([C:11]([C:12]([C:13]([N:14]([C:15](=[N:16][H:27])[N:17]([H:28])[H:29])[H:30])([H:31])[H:32])([H:33])[H:34])([H:35])[H:36])[H:37])[H:38])([C:18](=[O:19])[O:20][H:39])[H:40])[H:41])([H:42])[H:43])([H:44])([H:45])[H:46].[H][O:21][H:47]>>[C:7](=[O:8])([C@@:9]([N:10]([H:25])[H:26])([C:11]([C:12]([C:13]([N:14]([C:15](=[N:16][H:27])[N:17]([H:28])[H:29])[H:30])([H:31])[H:32])([H:33])[H:34])([H:35])[H:36])[H:37])[O:21][H:47].[H][N:6]([C@@:5]([C@:3]([C:2]([C:1]([H:44])([H:45])[H:46])([H:42])[H:43])([C:4]([H:22])([H:23])[H:24])[H:41])([C:18](=[O:19])[O:20][H:39])[H:40])[H:38]