SMIRKS
[H][N:11]([C@@:12]([C:13]([C:14]1:[C:15]([H:24]):[C:16]([H:25]):[C:17]([F:18]):[C:19]([H:26]):[C:20]:1[H:27])([H:28])[H:29])([C:21](=[O:22])[O:23][H:30])[H:31])[H:32].[H]N([H])[C:2](=[O:3])[C:4]([C:5]1:[C:6]([H:34]):[C:7]([H:35]):[C:8]([H:36]):[C:9]([H:37]):[C:10]:1[H:38])([H:39])[H:40]>>[C:2](=[O:3])([C:4]([C:5]1:[C:6]([H:34]):[C:7]([H:35]):[C:8]([H:36]):[C:9]([H:37]):[C:10]:1[H:38])([H:39])[H:40])[N:11]([C@@:12]([C:13]([C:14]1:[C:15]([H:24]):[C:16]([H:25]):[C:17]([F:18]):[C:19]([H:26]):[C:20]:1[H:27])([H:28])[H:29])([C:21](=[O:22])[O:23][H:30])[H:31])[H:32]
Derived Operators
EVODEX.1-F73 - Elemental Balance
| N | -1 |
| H | -3 |
EVODEX.1-M12 - Mass Difference
-17.02659
EVODEX.1-E631 - Reaction Operator E
[#7:11](-[#6@@:12])(-[H:33])-[H].[#7](-[#6:2](=[#8:3])-[#6:4])(-[H])-[H]>>[#6:2](=[#8:3])(-[#6:4])-[#7:11](-[#6@@:12])-[H:33]
EVODEX.1-N421 - Reaction Operator N
[H]-[#7:11](-[#6@@:12])-[H:32].[H]-[#7](-[H])-[#6:2](=[#8:3])-[#6:4]>>[#6:2](=[#8:3])(-[#6:4])-[#7:11](-[#6@@:12])-[H:32]
EVODEX.1-Em467 - Reaction Operator Em
[H]-[#7:11]-[#6:12].[H]-[#7](-[H])-[#6:2](=[#8:3])-[#6:4]>>[#6:2](=[#8:3])(-[#6:4])-[#7:11]-[#6:12]
EVODEX.1-Nm418 - Reaction Operator Nm
[H]-[#7:11]-[#6:12].[H]-[#7](-[H])-[#6:2](=[#8:3])-[#6:4]>>[#6:2](=[#8:3])(-[#6:4])-[#7:11]-[#6:12]
Source Full Reactions
EVODEX.1-R6201
[H][N:11]([C@@:12]([C:13]([C:14]1:[C:15]([H:24]):[C:16]([H:25]):[C:17]([F:18]):[C:19]([H:26]):[C:20]:1[H:27])([H:28])[H:29])([C:21](=[O:22])[O:23][H:30])[H:31])[H:32].[N:1]([C:2](=[O:3])[C:4]([C:5]1:[C:6]([H:34]):[C:7]([H:35]):[C:8]([H:36]):[C:9]([H:37]):[C:10]:1[H:38])([H:39])[H:40])([H:41])[H:42]>>[C:2](=[O:3])([C:4]([C:5]1:[C:6]([H:34]):[C:7]([H:35]):[C:8]([H:36]):[C:9]([H:37]):[C:10]:1[H:38])([H:39])[H:40])[N:11]([C@@:12]([C:13]([C:14]1:[C:15]([H:24]):[C:16]([H:25]):[C:17]([F:18]):[C:19]([H:26]):[C:20]:1[H:27])([H:28])[H:29])([C:21](=[O:22])[O:23][H:30])[H:31])[H:32].[H][N:1]([H:41])[H:42]