SMIRKS
[H]N([H])[C@@:8]([H])([C:7]([C:6]([C:4]([O:3][C:2]([C:1]([H:35])([H:36])[H:37])([H:33])[H:34])=[O:5])([H:31])[H:32])([H:29])[H:30])[C:10](=[O:11])[O:12][H:27]>>O=[C:8]([C:7]([C:6]([C:4]([O:3][C:2]([C:1]([H:35])([H:36])[H:37])([H:33])[H:34])=[O:5])([H:31])[H:32])([H:29])[H:30])[C:10](=[O:11])[O:12][H:27]
Derived Operators
EVODEX.1-F72 - Elemental Balance
| O | 1 |
| N | -1 |
| H | -3 |
EVODEX.1-M60 - Mass Difference
-1.0316900000000002
EVODEX.1-N42 - Reaction Operator N
[H]-[#7](-[H])-[#6@@:8](-[H])(-[#6:7])-[#6:10]>>[#8]=[#6:8](-[#6:7])-[#6:10]
EVODEX.1-Em340 - Reaction Operator Em
[H]-[#7](-[H])-[#6:8](-[H])(-[#6:7])-[#6:10]=[#8:11]>>[#8]=[#6:8](-[#6:7])-[#6:10]=[#8:11]
EVODEX.1-Nm115 - Reaction Operator Nm
[H]-[#7](-[H])-[#6:8](-[H])(-[#6:7])-[#6:10]>>[#8]=[#6:8](-[#6:7])-[#6:10]
Source Full Reactions
EVODEX.1-R3817
[H][C@@:8]([C:7]([C:6]([C:4]([O:3][C:2]([C:1]([H:35])([H:36])[H:37])([H:33])[H:34])=[O:5])([H:31])[H:32])([H:29])[H:30])([N:9]([H:25])[H:26])[C:10](=[O:11])[O:12][H:27].[O:13]=[C:14]([O:15][H:38])[C:16](=[O:17])[C:18]([C:19]1:[C:20]([H:39]):[C:21]([H:40]):[C:22]([H:41]):[C:23]([H:42]):[C:24]:1[H:43])([H:44])[H:45]>>[C:1]([C:2]([O:3][C:4](=[O:5])[C:6]([C:7]([C:8]([C:10](=[O:11])[O:12][H:27])=[O:17])([H:29])[H:30])([H:31])[H:32])([H:33])[H:34])([H:35])([H:36])[H:37].[H][C@@:16]([N:9]([H:25])[H:26])([C:14](=[O:13])[O:15][H:38])[C:18]([C:19]1:[C:20]([H:39]):[C:21]([H:40]):[C:22]([H:41]):[C:23]([H:42]):[C:24]:1[H:43])([H:44])[H:45]