SMIRKS
[H]OC(=O)[C@@]([H])(N([H])[C:8]([C@:6]([C:5]([N:4]([C:2]([C:1]([H:36])([H:37])[H:38])=[O:3])[H:35])([H:33])[H:34])([N:7]([H:22])[H:23])[H:32])=[O:9])C([H])([H])C1:C([H]):N:C([H]):N:1[H]>>[H]O[C:8]([C@:6]([C:5]([N:4]([C:2]([C:1]([H:36])([H:37])[H:38])=[O:3])[H:35])([H:33])[H:34])([N:7]([H:22])[H:23])[H:32])=[O:9]
Derived Operators
EVODEX.1-F281 - Elemental Balance
| O | -1 |
| C | -6 |
| N | -3 |
| H | -7 |
EVODEX.1-M312 - Mass Difference
-137.05901
EVODEX.1-E1037 - Reaction Operator E
[#8:2]=[#6:3](-[#7](-[#6](-[#6](-[#6]1:[#6](-[H]):[#7]:[#6](-[H]):[#7]:1-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H])-[#6:15]>>[#8](-[#6:3](=[#8:2])-[#6:15])-[H]
EVODEX.1-C597 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:12])-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#7]:[#6](-[H]):[#7]:1-[H]>>[H]-[#8]-[#6:12]
EVODEX.1-N754 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:12](-[#6:11])=[#8:13])-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#7]:[#6](-[H]):[#7]:1-[H]>>[H]-[#8]-[#6:12](-[#6:11])=[#8:13]
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-R5588
[C:1]([C:2](=[O:3])[N:4]([C:5]([C@:6]([N:7]([H:22])[H:23])([C:8](=[O:9])[N:10]([C@@:11]([C:12]([C:13]1:[C:14]([H:24]):[N:15]:[C:16]([H:25]):[N:17]:1[H:26])([H:27])[H:28])([C:18](=[O:19])[O:20][H:29])[H:30])[H:31])[H:32])([H:33])[H:34])[H:35])([H:36])([H:37])[H:38].[H][O:21][H:39]>>[C:1]([C:2](=[O:3])[N:4]([C:5]([C@:6]([N:7]([H:22])[H:23])([C:8](=[O:9])[O:21][H:39])[H:32])([H:33])[H:34])[H:35])([H:36])([H:37])[H:38].[H][N:10]([C@@:11]([C:12]([C:13]1:[C:14]([H:24]):[N:15]:[C:16]([H:25]):[N:17]:1[H:26])([H:27])[H:28])([C:18](=[O:19])[O:20][H:29])[H:30])[H:31]