SMIRKS
O=C(O[C:11]([C:12]1:[C:13]([H:22]):[C:14]([H:23]):[C:15]([H:24]):[C:16]([H:25]):[C:17]:1[H:26])([H:27])[H:28])[N:7]([C@@:6]([C:5]([C:4]([C:2]([N:1]([H:36])[H:37])=[O:3])([H:34])[H:35])([H:32])[H:33])([C:18](=[O:19])[O:20][H:30])[H:31])[H:29].[H][O:21][H:38]>>[C:11]([C:12]1:[C:13]([H:22]):[C:14]([H:23]):[C:15]([H:24]):[C:16]([H:25]):[C:17]:1[H:26])([O:21][H:38])([H:27])[H:28].[H][N:7]([C@@:6]([C:5]([C:4]([C:2]([N:1]([H:36])[H:37])=[O:3])([H:34])[H:35])([H:32])[H:33])([C:18](=[O:19])[O:20][H:30])[H:31])[H:29]
Derived Operators
EVODEX.1-F55 - Elemental Balance
| O | -2 |
| C | -1 |
EVODEX.1-M14 - Mass Difference
-43.9898
EVODEX.1-E579 - Reaction Operator E
[#6:1]-[#6:2](-[#8]-[#6](=[#8])-[#7:6](-[#6:7])-[H:19])(-[H:20])-[H:21].[#8:13](-[H:25])-[H]>>[#6:1]-[#6:2](-[#8:13]-[H:25])(-[H:20])-[H:21].[#7:6](-[#6:7])(-[H:19])-[H]
EVODEX.1-C704 - Reaction Operator C
[#8]=[#6](-[#8]-[#6:10])-[#7:6].[H]-[#8:20]>>[#6:10]-[#8:20].[H]-[#7:6]
EVODEX.1-N869 - Reaction Operator N
[#8]=[#6](-[#8]-[#6:10](-[#6:11])(-[H:29])-[H:30])-[#7:6](-[#6@@:5])-[H:31].[H]-[#8:20]-[H:40]>>[#6:10](-[#6:11])(-[#8:20]-[H:40])(-[H:29])-[H:30].[H]-[#7:6](-[#6@@:5])-[H:31]
EVODEX.1-Em678 - Reaction Operator Em
[#8]=[#6](-[#8]-[#6:10]-[#6:11])-[#7:6]-[#6:5].[H]-[#8:20]>>[#6:10](-[#6:11])-[#8:20].[H]-[#7:6]-[#6:5]
EVODEX.1-Cm271 - Reaction Operator Cm
[#6](-[#8]-[#6:10])-[#7:6].[H]-[#8:20]>>[#6:10]-[#8:20].[H]-[#7:6]
EVODEX.1-Nm611 - Reaction Operator Nm
[#8]=[#6](-[#8]-[#6:10]-[#6:11])-[#7:6]-[#6:5].[H]-[#8:20]>>[#6:10](-[#6:11])-[#8:20].[H]-[#7:6]-[#6:5]
Source Full Reactions
EVODEX.1-R6452
[N:1]([C:2](=[O:3])[C:4]([C:5]([C@:6]([N:7]([C:8](=[O:9])[O:10][C:11]([C:12]1:[C:13]([H:22]):[C:14]([H:23]):[C:15]([H:24]):[C:16]([H:25]):[C:17]:1[H:26])([H:27])[H:28])[H:29])([C:18](=[O:19])[O:20][H:30])[H:31])([H:32])[H:33])([H:34])[H:35])([H:36])[H:37].[H][O:21][H:38]>>[C:8](=[O:9])=[O:10].[C:11]([C:12]1:[C:13]([H:22]):[C:14]([H:23]):[C:15]([H:24]):[C:16]([H:25]):[C:17]:1[H:26])([O:21][H:38])([H:27])[H:28].[H][N:7]([C@@:6]([C:5]([C:4]([C:2]([N:1]([H:36])[H:37])=[O:3])([H:34])[H:35])([H:32])[H:33])([C:18](=[O:19])[O:20][H:30])[H:31])[H:29]