SMIRKS
[H]OC(=O)[C@:8]([H])([C:7]([C:6]([C:5]([N:4]([C:2](=[N:1][H:28])[N:3]([H:15])[H:16])[H:27])([H:25])[H:26])([H:23])[H:24])([H:21])[H:22])[N:9]([H:17])[H:18].O=[O:13]>>[N:1](=[C:2]([N:3]([H:15])[H:16])[N:4]([C:5]([C:6]([C:7]([C:8]([N:9]([H:17])[H:18])=[O:13])([H:21])[H:22])([H:23])[H:24])([H:25])[H:26])[H:27])[H:28]
Derived Operators
EVODEX.1-F62 - Elemental Balance
| O | -3 |
| C | -1 |
| H | -2 |
EVODEX.1-M102 - Mass Difference
-62.00035999999999
EVODEX.1-E598 - Reaction Operator E
[#7:2]-[#6:3](-[#6:4])(-[#6](=[#8])-[#8]-[H])-[H].[#8:14]=[#8]>>[#7:2]-[#6:3](-[#6:4])=[#8:14]
EVODEX.1-N142 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@:2](-[H])(-[#6:1])-[#7:3].[#8]=[#8:7]>>[#6:1]-[#6:2](-[#7:3])=[#8:7]
EVODEX.1-Em225 - Reaction Operator Em
[#8]-[#6](=[#8])-[#6:2](-[H])(-[#6:1])-[#7:3].[#8]=[#8:7]>>[#6:1]-[#6:2](-[#7:3])=[#8:7]
EVODEX.1-Nm224 - Reaction Operator Nm
[#8]-[#6](=[#8])-[#6:2](-[H])(-[#6:1])-[#7:3].[#8]=[#8:7]>>[#6:1]-[#6:2](-[#7:3])=[#8:7]
Source Full Reactions
EVODEX.1-R309
[H][C@@:8]([C:7]([C:6]([C:5]([N:4]([C:2](=[N:1][H:28])[N:3]([H:15])[H:16])[H:27])([H:25])[H:26])([H:23])[H:24])([H:21])[H:22])([N:9]([H:17])[H:18])[C:10](=[O:11])[O:12][H].[O:13]=[O:14]>>[C:10](=[O:11])=[O:12].[N:1](=[C:2]([N:3]([H:15])[H:16])[N:4]([C:5]([C:6]([C:7]([C:8]([N:9]([H:17])[H:18])=[O:13])([H:21])[H:22])([H:23])[H:24])([H:25])[H:26])[H:27])[H:28].[H][O:14][H]