SMIRKS
O=[C:14]([C:12](=[O:11])[O:13][H:31])[C:16]([C:17]([S:18](=[O:19])(=[O:20])[O:21][H:32])([H:33])[H:34])([H:35])[H:36]>>[H]N([H])[C@:14]([H])([C:12](=[O:11])[O:13][H:31])[C:16]([C:17]([S:18](=[O:19])(=[O:20])[O:21][H:32])([H:33])[H:34])([H:35])[H:36]
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-R3777
[H][C:2]([N:1]([H:29])[H:30])([O:3][H:22])[C:4](=[O:5])[C:6]([C:7]([C:8](=[O:9])[O:10][H:23])([H:24])[H:25])([H:26])[H:27].[O:11]=[C:12]([O:13][H:31])[C:14](=[O:15])[C:16]([C:17]([S:18](=[O:19])(=[O:20])[O:21][H:32])([H:33])[H:34])([H:35])[H:36]>>[C:2]([O:3][H:22])([C:4](=[O:5])[C:6]([C:7]([C:8](=[O:9])[O:10][H:23])([H:24])[H:25])([H:26])[H:27])=[O:15].[H][C@@:14]([N:1]([H:29])[H:30])([C:12](=[O:11])[O:13][H:31])[C:16]([C:17]([S:18](=[O:19])(=[O:20])[O:21][H:32])([H:33])[H:34])([H:35])[H:36]