SMIRKS
[H]C1:C(N([H])[C:6]([C@:4]([C:3]([C:2](=[C:1]([H:40])[H:41])[H:39])([H:37])[H:38])([N:5]([H:25])[H:26])[H:36])=[O:7]):C([H]):C2:O:C(=O):C([H]):C(C([H])([H])C(=O)N([H])[H]):C:2:C:1[H]>>[H]O[C:6]([C@:4]([C:3]([C:2](=[C:1]([H:40])[H:41])[H:39])([H:37])[H:38])([N:5]([H:25])[H:26])[H:36])=[O:7]
Derived Operators
EVODEX.1-F481 - Elemental Balance
| O | -2 |
| C | -11 |
| N | -2 |
| H | -8 |
EVODEX.1-M166 - Mass Difference
-200.05864
EVODEX.1-E1296 - Reaction Operator E
[#6:23](-[#6@:22])(=[#8:24])-[#7](-[#6]1:[#6](-[H]):[#6](-[H]):[#6]2:[#6](-[#6](-[#6](-[#7](-[H])-[H])=[#8])(-[H])-[H]):[#6](-[H]):[#6](=[#8]):[#8]:[#6]:2:[#6]:1-[H])-[H]>>[#6:23](-[#6@:22])(=[#8:24])-[#8]-[H]
EVODEX.1-C572 - Reaction Operator C
[H]-[#6]1:[#6](-[#7](-[H])-[#6:21]):[#6](-[H]):[#6]2:[#8]:[#6](=[#8]):[#6](-[H]):[#6](-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[H]):[#6]:2:[#6]:1-[H]>>[H]-[#8]-[#6:21]
EVODEX.1-N726 - Reaction Operator N
[H]-[#6]1:[#6](-[#7](-[H])-[#6:21](-[#6@@:20])=[#8:22]):[#6](-[H]):[#6]2:[#8]:[#6](=[#8]):[#6](-[H]):[#6](-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[H]):[#6]:2:[#6]:1-[H]>>[H]-[#8]-[#6:21](-[#6@@:20])=[#8:22]
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-R5478
[C:1](=[C:2]([C:3]([C@:4]([N:5]([H:25])[H:26])([C:6](=[O:7])[N:8]([C:9]1:[C:10]([H:27]):[C:11]([H:28]):[C:12]2:[C:13]([C:14]([C:15]([N:16]([H:29])[H:30])=[O:17])([H:31])[H:32]):[C:18]([H:33]):[C:19](=[O:20]):[O:21]:[C:22]:2:[C:23]:1[H:34])[H:35])[H:36])([H:37])[H:38])[H:39])([H:40])[H:41].[H][O:24][H:42]>>[C:1](=[C:2]([C:3]([C@:4]([N:5]([H:25])[H:26])([C:6](=[O:7])[O:24][H:42])[H:36])([H:37])[H:38])[H:39])([H:40])[H:41].[H][N:8]([C:9]1:[C:10]([H:27]):[C:11]([H:28]):[C:12]2:[C:13]([C:14]([C:15]([N:16]([H:29])[H:30])=[O:17])([H:31])[H:32]):[C:18]([H:33]):[C:19](=[O:20]):[O:21]:[C:22]:2:[C:23]:1[H:34])[H:35]