SMIRKS
O=[C:14]([C:12](=[O:11])[O:13][H:32])[C:16]1:[C:17]([H:33]):[C:18]([H:34]):[C:19]([H:35]):[C:20]([O:21][H:36]):[C:22]:1[H:37]>>[H]N([H])[C@@:14]([H])([C:12](=[O:11])[O:13][H:32])[C:16]1:[C:17]([H:33]):[C:18]([H:34]):[C:19]([H:35]):[C:20]([O:21][H:36]):[C:22]:1[H:37]
Derived Operators
EVODEX.1-F170 - Elemental Balance
| O | -1 |
| N | 1 |
| H | 3 |
EVODEX.1-M69 - Mass Difference
1.0316900000000002
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-Em339 - Reaction Operator Em
[#8]=[#6:14](-[#6:12]=[#8:11])-[#6:16]>>[H]-[#7](-[H])-[#6:14](-[H])(-[#6:12]=[#8:11])-[#6:16]
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-R3840
[H][C@:2]([N:1]([H:30])[H:31])([C:3]([C:4]([C:5](=[O:6])[O:7][H:23])([H:24])[H:25])([H:26])[H:27])[C:8](=[O:9])[O:10][H:28].[O:11]=[C:12]([O:13][H:32])[C:14](=[O:15])[C:16]1:[C:17]([H:33]):[C:18]([H:34]):[C:19]([H:35]):[C:20]([O:21][H:36]):[C:22]:1[H:37]>>[C:2]([C:3]([C:4]([C:5](=[O:6])[O:7][H:23])([H:24])[H:25])([H:26])[H:27])([C:8](=[O:9])[O:10][H:28])=[O:15].[H][C@:14]([N:1]([H:30])[H:31])([C:12](=[O:11])[O:13][H:32])[C:16]1:[C:17]([H:33]):[C:18]([H:34]):[C:19]([H:35]):[C:20]([O:21][H:36]):[C:22]:1[H:37]