SMIRKS
[H]N([H])[C:16]([C@@:5]([N:4]([C:2]([C:1]([H:32])([H:33])[H:34])=[O:3])[H:31])([C:6]([C:7]1:[C:8]([H:20]):[N:9]([H:21]):[C:10]2:[C:11]([H:22]):[C:12]([H:23]):[C:13]([H:24]):[C:14]([H:25]):[C:15]:1:2)([H:26])[H:27])[H:30])=[O:18]>>[H]O[C:16]([C@@:5]([N:4]([C:2]([C:1]([H:32])([H:33])[H:34])=[O:3])[H:31])([C:6]([C:7]1:[C:8]([H:20]):[N:9]([H:21]):[C:10]2:[C:11]([H:22]):[C:12]([H:23]):[C:13]([H:24]):[C:14]([H:25]):[C:15]:1:2)([H:26])[H:27])[H:30])=[O:18]
Derived Operators
EVODEX.1-F74 - Elemental Balance
| O | 1 |
| N | -1 |
| H | -1 |
EVODEX.1-M17 - Mass Difference
0.9839699999999996
EVODEX.1-E636 - Reaction Operator E
[#6:6]-[#6:7](-[#7](-[H])-[H])=[#8:9]>>[#6:6]-[#6:7](=[#8:9])-[#8]-[H]
EVODEX.1-N568 - Reaction Operator N
[H]-[#7](-[H])-[#6:5](-[#6:4])=[#8:7]>>[H]-[#8]-[#6:5](-[#6:4])=[#8:7]
EVODEX.1-Em555 - Reaction Operator Em
[H]-[#7](-[H])-[#6:5](-[#6:4])=[#8:7]>>[H]-[#8]-[#6:5](-[#6:4])=[#8:7]
EVODEX.1-Nm501 - Reaction Operator Nm
[H]-[#7](-[H])-[#6:5](-[#6:4])=[#8:7]>>[H]-[#8]-[#6:5](-[#6:4])=[#8:7]
Source Full Reactions
EVODEX.1-R6023
[C:1]([C:2](=[O:3])[N:4]([C@@:5]([C:6]([C:7]1:[C:8]([H:20]):[N:9]([H:21]):[C:10]2:[C:11]([H:22]):[C:12]([H:23]):[C:13]([H:24]):[C:14]([H:25]):[C:15]:1:2)([H:26])[H:27])([C:16]([N:17]([H:28])[H:29])=[O:18])[H:30])[H:31])([H:32])([H:33])[H:34].[H][O:19][H:35]>>[C:1]([C:2](=[O:3])[N:4]([C@@:5]([C:6]([C:7]1:[C:8]([H:20]):[N:9]([H:21]):[C:10]2:[C:11]([H:22]):[C:12]([H:23]):[C:13]([H:24]):[C:14]([H:25]):[C:15]:1:2)([H:26])[H:27])([C:16](=[O:18])[O:19][H:35])[H:30])[H:31])([H:32])([H:33])[H:34].[H][N:17]([H:28])[H:29]