SMIRKS
[H]OC(=O)[C@]([H])(O[H])[N:11]([C:2](=[O:1])[C:3](=[C:4]([C:5]1:[C:6]([H:17]):[C:7]([H:18]):[C:8]([H:19]):[C:9]([H:20]):[C:10]:1[H:21])[H:22])[H:23])[H:27]>>[H][N:11]([C:2](=[O:1])[C:3](=[C:4]([C:5]1:[C:6]([H:17]):[C:7]([H:18]):[C:8]([H:19]):[C:9]([H:20]):[C:10]:1[H:21])[H:22])[H:23])[H:27]
Derived Operators
EVODEX.1-F97 - Elemental Balance
| C | -2 |
| O | -3 |
| H | -2 |
EVODEX.1-M109 - Mass Difference
-74.00036
EVODEX.1-E682 - Reaction Operator E
[#6:4]-[#7:5](-[#6](-[#8]-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H:20]>>[#6:4]-[#7:5](-[H:20])-[H]
EVODEX.1-N961 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[#8]-[H])-[#7:5](-[#6:4])-[H:20]>>[H]-[#7:5](-[#6:4])-[H:20]
Source Full Reactions
EVODEX.1-R7097
[H][O:13][C@:12]([N:11]([C:2](=[O:1])[C:3](=[C:4]([C:5]1:[C:6]([H:17]):[C:7]([H:18]):[C:8]([H:19]):[C:9]([H:20]):[C:10]:1[H:21])[H:22])[H:23])[H:27])([C:14](=[O:15])[O:16][H:25])[H:26]>>[C:12](=[O:13])([C:14](=[O:15])[O:16][H:25])[H:26].[H][N:11]([C:2](=[O:1])[C:3](=[C:4]([C:5]1:[C:6]([H:17]):[C:7]([H:18]):[C:8]([H:19]):[C:9]([H:20]):[C:10]:1[H:21])[H:22])[H:23])[H:27]