SMIRKS
[C:1]([O:2][C:3](=[O:4])[C:5]([C:6]([C@:7]([N:8]([H:17])[H:18])([C:9](=[O:10])[O:11][H:19])[H:20])([H:21])[H:22])([H:23])[H:24])([H:25])([H:26])[H:27]>>[H][C:7]([N:8]([H:17])[H:18])([C:9](=[O:10])[O:11][H:19])[H:20].[H]OC(=O)C(=O)[C:6]([C:5]([C:3]([O:2][C:1]([H:25])([H:26])[H:27])=[O:4])([H:23])[H:24])([H:21])[H:22]
Derived Operators
EVODEX.1-F235 - Elemental Balance
| O | 3 |
| C | 2 |
| H | 2 |
EVODEX.1-M294 - Mass Difference
74.00036
EVODEX.1-E957 - Reaction Operator E
[#6:5]-[#6:6](-[#6@:7](-[#7:8])(-[#6:9])-[H:20])(-[H:21])-[H:22]>>[#6:7](-[#7:8])(-[#6:9])(-[H:20])-[H].[#6:5]-[#6:6](-[#6](=[#8])-[#6](=[#8])-[#8]-[H])(-[H:21])-[H:22]
EVODEX.1-C439 - Reaction Operator C
[#6:7]-[#6@@:5]>>[H]-[#8]-[#6](=[#8])-[#6](=[#8])-[#6:7].[H]-[#6:5]
EVODEX.1-N531 - Reaction Operator N
[#6:3]-[#6@@:5](-[#7:6])(-[#6:7](-[#6:8])(-[H:22])-[H:23])-[H:24]>>[H]-[#8]-[#6](=[#8])-[#6](=[#8])-[#6:7](-[#6:8])(-[H:22])-[H:23].[H]-[#6:5](-[#6:3])(-[#7:6])-[H:24]
EVODEX.1-Em541 - Reaction Operator Em
[#6:3]-[#6:5](-[#7:6])-[#6:7]-[#6:8]>>[#6](=[#8])-[#6](=[#8])-[#6:7]-[#6:8].[H]-[#6:5](-[#6:3])-[#7:6]
EVODEX.1-Nm490 - Reaction Operator Nm
[#6:3]-[#6:5](-[#7:6])-[#6:7]-[#6:8]>>[#6]-[#6](=[#8])-[#6:7]-[#6:8].[H]-[#6:5](-[#6:3])-[#7:6]
Source Full Reactions
EVODEX.1-R3563
[C:1]([O:2][C:3](=[O:4])[C:5]([C:6]([C@:7]([N:8]([H:17])[H:18])([C:9](=[O:10])[O:11][H:19])[H:20])([H:21])[H:22])([H:23])[H:24])([H:25])([H:26])[H:27].[H][C:13](=[O:12])[C:14](=[O:15])[O:16][H:28]>>[H][C:7]([N:8]([H:17])[H:18])([C:9](=[O:10])[O:11][H:19])[H:20].[C:1]([O:2][C:3](=[O:4])[C:5]([C:6]([C:13](=[O:12])[C:14](=[O:15])[O:16][H:28])([H:21])[H:22])([H:23])[H:24])([H:25])([H:26])[H:27]