SMIRKS
[H]OC(=O)[C@:6]([H])([C:5]([C:4]([C:3]([C:2]([N:1]([H:25])[H:26])([H:23])[H:24])([H:21])[H:22])([H:19])[H:20])([H:17])[H:18])[N:7]([H:13])[H:14].[O:11]=[O:12]>>[N:1]([C:2]([C:3]([C:4]([C:5]([C:6]([N:7]([H:13])[H:14])=[O:11])([H:17])[H:18])([H:19])[H:20])([H:21])[H:22])([H:23])[H:24])([H:25])[H:26].[H][O:12][H]
Derived Operators
EVODEX.1-F55 - Elemental Balance
| O | -2 |
| C | -1 |
EVODEX.1-M14 - Mass Difference
-43.9898
EVODEX.1-E578 - Reaction Operator E
[#7:2]-[#6:3](-[#6:4])(-[#6](=[#8])-[#8]-[H])-[H].[#8:14]=[#8:15]>>[#7:2]-[#6:3](-[#6:4])=[#8:14].[#8:15](-[H])-[H]
EVODEX.1-C206 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@:5]-[H].[#8:10]=[#8:11]>>[#6:5]=[#8:10].[H]-[#8:11]-[H]
EVODEX.1-N143 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@:5](-[H])(-[#6:4])-[#7:6].[#8:10]=[#8:11]>>[#6:4]-[#6:5](-[#7:6])=[#8:10].[H]-[#8:11]-[H]
EVODEX.1-Em226 - Reaction Operator Em
[#8]-[#6](=[#8])-[#6:5](-[H])(-[#6:4])-[#7:6].[#8:10]=[#8:11]>>[#6:4]-[#6:5](-[#7:6])=[#8:10].[H]-[#8:11]-[H]
EVODEX.1-Cm184 - Reaction Operator Cm
[#6]-[#6:5]-[H].[#8:10]=[#8:11]>>[#6:5]=[#8:10].[H]-[#8:11]-[H]
EVODEX.1-Nm225 - Reaction Operator Nm
[#8]-[#6](=[#8])-[#6:5](-[H])(-[#6:4])-[#7:6].[#8:10]=[#8:11]>>[#6:4]-[#6:5](-[#7:6])=[#8:10].[H]-[#8:11]-[H]
Source Full Reactions
EVODEX.1-R312
[H][C@@:6]([C:5]([C:4]([C:3]([C:2]([N:1]([H:25])[H:26])([H:23])[H:24])([H:21])[H:22])([H:19])[H:20])([H:17])[H:18])([N:7]([H:13])[H:14])[C:8](=[O:9])[O:10][H].[O:11]=[O:12]>>[C:8](=[O:9])=[O:10].[N:1]([C:2]([C:3]([C:4]([C:5]([C:6]([N:7]([H:13])[H:14])=[O:11])([H:17])[H:18])([H:19])[H:20])([H:21])[H:22])([H:23])[H:24])([H:25])[H:26].[H][O:12][H]