SMIRKS
[H]OC(=O)[C@@:2]([H])([N:1]([H:28])[H:29])[C:3]([C:4]1:[C:5]([H:18]):[N:6]([H:19]):[C:7]2:[C:8]([H:20]):[C:9]([H:21]):[C:10]([H:22]):[C:11]([H:23]):[C:12]:1:2)([H:24])[H:25].O=[O:16]>>[N:1]([C:2]([C:3]([C:4]1:[C:5]([H:18]):[N:6]([H:19]):[C:7]2:[C:8]([H:20]):[C:9]([H:21]):[C:10]([H:22]):[C:11]([H:23]):[C:12]:1:2)([H:24])[H:25])=[O:16])([H:28])[H:29]
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-R317
[H][C@:2]([N:1]([H:28])[H:29])([C:3]([C:4]1:[C:5]([H:18]):[N:6]([H:19]):[C:7]2:[C:8]([H:20]):[C:9]([H:21]):[C:10]([H:22]):[C:11]([H:23]):[C:12]:1:2)([H:24])[H:25])[C:13](=[O:14])[O:15][H].[O:16]=[O:17]>>[C:13](=[O:14])=[O:15].[N:1]([C:2]([C:3]([C:4]1:[C:5]([H:18]):[N:6]([H:19]):[C:7]2:[C:8]([H:20]):[C:9]([H:21]):[C:10]([H:22]):[C:11]([H:23]):[C:12]:1:2)([H:24])[H:25])=[O:16])([H:28])[H:29].[H][O:17][H]