SMIRKS
[H][C@@:6]([C:5]([C:4]([C:2]([N:1]([H:34])[H:35])=[O:3])([H:32])[H:33])([H:30])[H:31])([N:7]([H:26])[H:27])[C:8](=[O:9])[O:10][H:28]>>O=[C:6]([C:5]([C:4]([C:2]([N:1]([H:34])[H:35])=[O:3])([H:32])[H:33])([H:30])[H:31])[C:8](=[O:9])[O:10][H:28].[H]OC(=O)[C@]([H])(C([H])([H])C1:C([H]):N([H]):C2:C([H]):C([H]):C([H]):C([H]):C:1:2)[N:7]([H:26])[H:27]
Derived Operators
EVODEX.1-F419 - Elemental Balance
| O | 3 |
| C | 11 |
| N | 1 |
| H | 9 |
EVODEX.1-M407 - Mass Difference
203.05827
EVODEX.1-E1228 - Reaction Operator E
[#7:1](-[#6@@:2](-[#6:3])(-[#6:7]=[#8:8])-[H])(-[H:30])-[H:31]>>[#6:2](-[#6:3])(-[#6:7]=[#8:8])=[#8].[#7:1](-[#6@](-[#6](=[#8])-[#8]-[H])(-[#6](-[#6]1:[#6](-[H]):[#7](-[H]):[#6]2:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1:2)(-[H])-[H])-[H])(-[H:30])-[H:31]
EVODEX.1-C449 - Reaction Operator C
[H]-[#6@:2]-[#7:1]>>[#8]=[#6:2].[H]-[#8]-[#6](=[#8])-[#6@](-[H])(-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#7](-[H]):[#6]2:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1:2)-[#7:1]
EVODEX.1-N546 - Reaction Operator N
[H]-[#6@:2](-[#7:1](-[H:30])-[H:31])(-[#6:3])-[#6:7]>>[#8]=[#6:2](-[#6:3])-[#6:7].[H]-[#8]-[#6](=[#8])-[#6@](-[H])(-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#7](-[H]):[#6]2:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1:2)-[#7:1](-[H:30])-[H:31]
EVODEX.1-Em17 - Reaction Operator Em
[H]-[#6:2](-[#7:1])(-[#6:3])-[#6:14]=[#8:15]>>[#8]=[#6:2](-[#6:3])-[#6:14]=[#8:15].[#6]-[#6](-[H])(-[#6])-[#7:1]
EVODEX.1-Nm13 - Reaction Operator Nm
[H]-[#6:39](-[#7:40])(-[#6:5])-[#6:37]>>[#8]=[#6:39](-[#6:5])-[#6:37].[#6]-[#6](-[H])(-[#6])-[#7:40]
Source Full Reactions
EVODEX.1-R3789
[H][C@@:6]([C:5]([C:4]([C:2]([N:1]([H:34])[H:35])=[O:3])([H:32])[H:33])([H:30])[H:31])([N:7]([H:26])[H:27])[C:8](=[O:9])[O:10][H:28].[O:11]=[C:12]([O:13][H:36])[C:14](=[O:15])[C:16]([C:17]1:[C:18]([H:37]):[N:19]([H:38]):[C:20]2:[C:21]([H:39]):[C:22]([H:40]):[C:23]([H:41]):[C:24]([H:42]):[C:25]:1:2)([H:43])[H:44]>>[N:1]([C:2](=[O:3])[C:4]([C:5]([C:6]([C:8](=[O:9])[O:10][H:28])=[O:15])([H:30])[H:31])([H:32])[H:33])([H:34])[H:35].[H][C@@:14]([N:7]([H:26])[H:27])([C:12](=[O:11])[O:13][H:36])[C:16]([C:17]1:[C:18]([H:37]):[N:19]([H:38]):[C:20]2:[C:21]([H:39]):[C:22]([H:40]):[C:23]([H:41]):[C:24]([H:42]):[C:25]:1:2)([H:43])[H:44]