SMIRKS
[H]N([H])[C:13]([C@:5]([C:4]([C:2]([C:1]([H:33])([H:34])[H:35])([C:3]([H:17])([H:18])[H:19])[H:32])([H:30])[H:31])([N:6]([C:7](=[O:8])[C@@:9]([N:10]([H:20])[H:21])([C:11]([O:12][H:22])([H:23])[H:24])[H:25])[H:26])[H:29])=[O:15]>>[H]O[C:13]([C@:5]([C:4]([C:2]([C:1]([H:33])([H:34])[H:35])([C:3]([H:17])([H:18])[H:19])[H:32])([H:30])[H:31])([N:6]([C:7](=[O:8])[C@@:9]([N:10]([H:20])[H:21])([C:11]([O:12][H:22])([H:23])[H:24])[H:25])[H:26])[H:29])=[O:15]
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-R5603
[C:1]([C:2]([C:3]([H:17])([H:18])[H:19])([C:4]([C@:5]([N:6]([C:7](=[O:8])[C@@:9]([N:10]([H:20])[H:21])([C:11]([O:12][H:22])([H:23])[H:24])[H:25])[H:26])([C:13]([N:14]([H:27])[H:28])=[O:15])[H:29])([H:30])[H:31])[H:32])([H:33])([H:34])[H:35].[H][O:16][H:36]>>[C:1]([C:2]([C:3]([H:17])([H:18])[H:19])([C:4]([C@:5]([N:6]([C:7](=[O:8])[C@@:9]([N:10]([H:20])[H:21])([C:11]([O:12][H:22])([H:23])[H:24])[H:25])[H:26])([C:13](=[O:15])[O:16][H:36])[H:29])([H:30])[H:31])[H:32])([H:33])([H:34])[H:35].[H][N:14]([H:27])[H:28]