SMIRKS
[H]N([H])[C:21]([C@:5]([C:4]([C:2]([C:1]([H:45])([H:46])[H:47])([C:3]([H:25])([H:26])[H:27])[H:44])([H:42])[H:43])([N:6]([C:7](=[O:8])[C:9]([N:10]([C:11](=[O:12])[O:13][C:14]([C:15]1:[C:16]([H:28]):[C:17]([H:29]):[C:18]([H:30]):[C:19]([H:31]):[C:20]:1[H:32])([H:33])[H:34])[H:35])([H:36])[H:37])[H:38])[H:41])=[O:23].[H][O:24][H:48]>>[C:1]([C:2]([C:3]([H:25])([H:26])[H:27])([C:4]([C@:5]([N:6]([C:7](=[O:8])[C:9]([N:10]([C:11](=[O:12])[O:13][C:14]([C:15]1:[C:16]([H:28]):[C:17]([H:29]):[C:18]([H:30]):[C:19]([H:31]):[C:20]:1[H:32])([H:33])[H:34])[H:35])([H:36])[H:37])[H:38])([C:21](=[O:23])[O:24][H:48])[H:41])([H:42])[H:43])[H:44])([H:45])([H:46])[H:47]
Derived Operators
EVODEX.1-F73 - Elemental Balance
| N | -1 |
| H | -3 |
EVODEX.1-M12 - Mass Difference
-17.02659
EVODEX.1-E626 - Reaction Operator E
[#6:6]-[#6:7](-[#7](-[H])-[H])=[#8:9].[#8:10](-[H:21])-[H]>>[#6:6]-[#6:7](=[#8:9])-[#8:10]-[H:21]
EVODEX.1-N1137 - Reaction Operator N
[H]-[#7](-[H])-[#6:21](-[#6@:5])=[#8:23].[H]-[#8:24]-[H:48]>>[#6:21](-[#6@:5])(=[#8:23])-[#8:24]-[H:48]
EVODEX.1-Em641 - Reaction Operator Em
[H]-[#7](-[H])-[#6:8](-[#6:7])=[#8:10].[H]-[#8:14]>>[#6:7]-[#6:8](=[#8:10])-[#8:14]
EVODEX.1-Nm576 - Reaction Operator Nm
[H]-[#7](-[H])-[#6:8](-[#6:7])=[#8:10].[H]-[#8:14]>>[#6:7]-[#6:8](=[#8:10])-[#8:14]
Source Full Reactions
EVODEX.1-R5895
[C:1]([C:2]([C:3]([H:25])([H:26])[H:27])([C:4]([C@:5]([N:6]([C:7](=[O:8])[C:9]([N:10]([C:11](=[O:12])[O:13][C:14]([C:15]1:[C:16]([H:28]):[C:17]([H:29]):[C:18]([H:30]):[C:19]([H:31]):[C:20]:1[H:32])([H:33])[H:34])[H:35])([H:36])[H:37])[H:38])([C:21]([N:22]([H:39])[H:40])=[O:23])[H:41])([H:42])[H:43])[H:44])([H:45])([H:46])[H:47].[H][O:24][H:48]>>[C:1]([C:2]([C:3]([H:25])([H:26])[H:27])([C:4]([C@:5]([N:6]([C:7](=[O:8])[C:9]([N:10]([C:11](=[O:12])[O:13][C:14]([C:15]1:[C:16]([H:28]):[C:17]([H:29]):[C:18]([H:30]):[C:19]([H:31]):[C:20]:1[H:32])([H:33])[H:34])[H:35])([H:36])[H:37])[H:38])([C:21](=[O:23])[O:24][H:48])[H:41])([H:42])[H:43])[H:44])([H:45])([H:46])[H:47].[H][N:22]([H:39])[H:40]