SMIRKS
O=[C:4]([C:2]([C:1]([H:21])([H:22])[H:23])([C:3]([H:14])([H:15])[H:16])[H:20])[C:6]([O:7][H:17])([H:18])[H:19]>>[H]N([H])[C@@:4]([H])([C:2]([C:1]([H:21])([H:22])[H:23])([C:3]([H:14])([H:15])[H:16])[H:20])[C:6]([O:7][H:17])([H:18])[H:19]
Derived Operators
EVODEX.1-F170 - Elemental Balance
| O | -1 |
| N | 1 |
| H | 3 |
EVODEX.1-M69 - Mass Difference
1.0316900000000002
EVODEX.1-E840 - Reaction Operator E
[#6:6](-[#6@:5])(=[#8])-[#6@@:8]>>[#7](-[#6@@:6](-[#6@:5])(-[H])-[#6@@:8])(-[H])-[H]
EVODEX.1-N41 - Reaction Operator N
[#8]=[#6:6](-[#6@:5])-[#6@:8]>>[H]-[#7](-[H])-[#6@:6](-[H])(-[#6@:5])-[#6@:8]
EVODEX.1-Em342 - Reaction Operator Em
[#8]=[#6:6](-[#6:5])-[#6:8]>>[H]-[#7](-[H])-[#6:6](-[H])(-[#6:5])-[#6:8]
EVODEX.1-Nm114 - Reaction Operator Nm
[#8]=[#6:6](-[#6:5])-[#6:8]>>[H]-[#7](-[H])-[#6:6](-[H])(-[#6:5])-[#6:8]
Source Full Reactions
EVODEX.1-R3590
[C:1]([C:2]([C:3]([H:14])([H:15])[H:16])([C:4](=[O:5])[C:6]([O:7][H:17])([H:18])[H:19])[H:20])([H:21])([H:22])[H:23].[H][C@@:9]([C:8]([H:28])([H:29])[H:30])([N:10]([H:24])[H:25])[C:11](=[O:12])[O:13][H:26]>>[H][C@:4]([C:2]([C:1]([H:21])([H:22])[H:23])([C:3]([H:14])([H:15])[H:16])[H:20])([C:6]([O:7][H:17])([H:18])[H:19])[N:10]([H:24])[H:25].[O:5]=[C:9]([C:8]([H:28])([H:29])[H:30])[C:11](=[O:12])[O:13][H:26]