SMIRKS
O=[C:18]([C:17]([C:16]([C:15]([C:14]([C:12](=[O:11])[O:13][H:32])([H:40])[H:41])([H:38])[H:39])([H:36])[H:37])([H:34])[H:35])[C:20](=[O:21])[O:22][H:33]>>[H]N([H])[C:18]([H])([C:17]([C:16]([C:15]([C:14]([C:12](=[O:11])[O:13][H:32])([H:40])[H:41])([H:38])[H:39])([H:36])[H:37])([H:34])[H:35])[C:20](=[O:21])[O:22][H:33]
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-R3750
[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]([C:15]([C:16]([C:17]([C:18](=[O:19])[C:20](=[O:21])[O:22][H:33])([H:34])[H:35])([H:36])[H:37])([H:38])[H:39])([H:40])[H:41]>>[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:19].[H][C:18]([N:1]([H:30])[H:31])([C:17]([C:16]([C:15]([C:14]([C:12](=[O:11])[O:13][H:32])([H:40])[H:41])([H:38])[H:39])([H:36])[H:37])([H:34])[H:35])[C:20](=[O:21])[O:22][H:33]