SMIRKS
[H]O[C:2]([C:1]([H:27])([H:28])[H:29])([H:25])[H:26].[H][O:23][C:21]([C@:11]([C:10]([C:9]([C:8]([N:7]([C:5](=[N:4][H:47])[N:6]([H:30])[H:31])[H:46])([H:44])[H:45])([H:42])[H:43])([H:40])[H:41])([N:12]([C:13](=[O:14])[C:15]1:[C:16]([H:32]):[C:17]([H:33]):[C:18]([H:34]):[C:19]([H:35]):[C:20]:1[H:36])[H:37])[H:39])=[O:22]>>[C:1]([C:2]([O:23][C:21]([C@:11]([C:10]([C:9]([C:8]([N:7]([C:5](=[N:4][H:47])[N:6]([H:30])[H:31])[H:46])([H:44])[H:45])([H:42])[H:43])([H:40])[H:41])([N:12]([C:13](=[O:14])[C:15]1:[C:16]([H:32]):[C:17]([H:33]):[C:18]([H:34]):[C:19]([H:35]):[C:20]:1[H:36])[H:37])[H:39])=[O:22])([H:25])[H:26])([H:27])([H:28])[H:29]
Derived Operators
EVODEX.1-F33 - Elemental Balance
| O | -1 |
| H | -2 |
EVODEX.1-M4 - Mass Difference
-18.010559999999998
EVODEX.1-E486 - Reaction Operator E
[#6:1]-[#6:2](-[#8]-[H])(-[H:14])-[H:15].[#6:5]-[#8:6]-[H]>>[#6:1]-[#6:2](-[#8:6]-[#6:5])(-[H:14])-[H:15]
EVODEX.1-N631 - Reaction Operator N
[H]-[#8]-[#6:2](-[#6:1])(-[H:25])-[H:26].[H]-[#8:23]-[#6:21]>>[#6:1]-[#6:2](-[#8:23]-[#6:21])(-[H:25])-[H:26]
EVODEX.1-Em600 - Reaction Operator Em
[H]-[#8]-[#6:2]-[#6:1].[H]-[#8:23]-[#6:21]>>[#6:1]-[#6:2]-[#8:23]-[#6:21]
EVODEX.1-Nm536 - Reaction Operator Nm
[H]-[#8]-[#6:2]-[#6:1].[H]-[#8:23]-[#6:21]>>[#6:1]-[#6:2]-[#8:23]-[#6:21]
Source Full Reactions
EVODEX.1-R5892
[C:1]([C:2]([O:3][H:24])([H:25])[H:26])([H:27])([H:28])[H:29].[H][O:23][C:21]([C@:11]([C:10]([C:9]([C:8]([N:7]([C:5](=[N:4][H:47])[N:6]([H:30])[H:31])[H:46])([H:44])[H:45])([H:42])[H:43])([H:40])[H:41])([N:12]([C:13](=[O:14])[C:15]1:[C:16]([H:32]):[C:17]([H:33]):[C:18]([H:34]):[C:19]([H:35]):[C:20]:1[H:36])[H:37])[H:39])=[O:22]>>[C:1]([C:2]([O:23][C:21]([C@:11]([C:10]([C:9]([C:8]([N:7]([C:5](=[N:4][H:47])[N:6]([H:30])[H:31])[H:46])([H:44])[H:45])([H:42])[H:43])([H:40])[H:41])([N:12]([C:13](=[O:14])[C:15]1:[C:16]([H:32]):[C:17]([H:33]):[C:18]([H:34]):[C:19]([H:35]):[C:20]:1[H:36])[H:37])[H:39])=[O:22])([H:25])[H:26])([H:27])([H:28])[H:29].[H][O:3][H:24]