SMIRKS
[H][N:11]([C@:12]([C:13]([C:14]1:[C:15]([H:23]):[C:16]([H:24]):[C:17]([H:25]):[C:18]([H:26]):[C:19]:1[H:27])([H:28])[H:29])([C:20](=[O:21])[O:22][H:30])[H:31])[H:32].[H]N([H])[C:2](=[O:3])[C:4]([C:5]([C@:6]([N:7]([H:34])[H:35])([C:8](=[O:9])[O:10][H:36])[H:37])([H:38])[H:39])([H:40])[H:41]>>[C:2](=[O:3])([C:4]([C:5]([C@:6]([N:7]([H:34])[H:35])([C:8](=[O:9])[O:10][H:36])[H:37])([H:38])[H:39])([H:40])[H:41])[N:11]([C@:12]([C:13]([C:14]1:[C:15]([H:23]):[C:16]([H:24]):[C:17]([H:25]):[C:18]([H:26]):[C:19]:1[H:27])([H:28])[H:29])([C:20](=[O:21])[O:22][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-R2873
[H][N:11]([C@:12]([C:13]([C:14]1:[C:15]([H:23]):[C:16]([H:24]):[C:17]([H:25]):[C:18]([H:26]):[C:19]:1[H:27])([H:28])[H:29])([C:20](=[O:21])[O:22][H:30])[H:31])[H:32].[N:1]([C:2](=[O:3])[C:4]([C:5]([C@:6]([N:7]([H:34])[H:35])([C:8](=[O:9])[O:10][H:36])[H:37])([H:38])[H:39])([H:40])[H:41])([H:42])[H:43]>>[C:2](=[O:3])([C:4]([C:5]([C@:6]([N:7]([H:34])[H:35])([C:8](=[O:9])[O:10][H:36])[H:37])([H:38])[H:39])([H:40])[H:41])[N:11]([C@:12]([C:13]([C:14]1:[C:15]([H:23]):[C:16]([H:24]):[C:17]([H:25]):[C:18]([H:26]):[C:19]:1[H:27])([H:28])[H:29])([C:20](=[O:21])[O:22][H:30])[H:31])[H:32].[H][N:1]([H:42])[H:43]