SMIRKS
[H]O[C:10]([C:3]([C:2]([C:1]([H:25])([H:26])[H:27])([H:23])[H:24])([C:4]([C@:5]([N:6]([H:15])[H:16])([C:7](=[O:8])[O:9][H:17])[H:18])([H:19])[H:20])[H:22])=[O:11].[H][N:13]([O:14][H:28])[H:29]>>[C:1]([C:2]([C:3]([C:4]([C@:5]([N:6]([H:15])[H:16])([C:7](=[O:8])[O:9][H:17])[H:18])([H:19])[H:20])([C:10](=[O:11])[N:13]([O:14][H:28])[H:29])[H:22])([H:23])[H:24])([H:25])([H:26])[H:27]
Derived Operators
EVODEX.1-F33 - Elemental Balance
| O | -1 |
| H | -2 |
EVODEX.1-M4 - Mass Difference
-18.010559999999998
EVODEX.1-E493 - Reaction Operator E
[#6:14](-[#6@:3])(=[#8:15])-[#8]-[H].[#7:17](-[#8:18])(-[H:67])-[H]>>[#6:14](-[#6@:3])(=[#8:15])-[#7:17](-[#8:18])-[H:67]
EVODEX.1-N853 - Reaction Operator N
[H]-[#7:11](-[#8:12])-[H:45].[H]-[#8]-[#6:4](-[#6:3])=[#8:5]>>[#6:3]-[#6:4](=[#8:5])-[#7:11](-[#8:12])-[H:45]
EVODEX.1-Em667 - Reaction Operator Em
[H]-[#7:11]-[#8:12].[H]-[#8]-[#6:4](-[#6:3])=[#8:5]>>[#6:3]-[#6:4](=[#8:5])-[#7:11]-[#8:12]
EVODEX.1-Nm600 - Reaction Operator Nm
[H]-[#7:11]-[#8:12].[H]-[#8]-[#6:4](-[#6:3])=[#8:5]>>[#6:3]-[#6:4](=[#8:5])-[#7:11]-[#8:12]
Source Full Reactions
EVODEX.1-R6305
[C:1]([C:2]([C:3]([C:4]([C@:5]([N:6]([H:15])[H:16])([C:7](=[O:8])[O:9][H:17])[H:18])([H:19])[H:20])([C:10](=[O:11])[O:12][H:21])[H:22])([H:23])[H:24])([H:25])([H:26])[H:27].[H][N:13]([O:14][H:28])[H:29]>>[C:1]([C:2]([C:3]([C:4]([C@:5]([N:6]([H:15])[H:16])([C:7](=[O:8])[O:9][H:17])[H:18])([H:19])[H:20])([C:10](=[O:11])[N:13]([O:14][H:28])[H:29])[H:22])([H:23])[H:24])([H:25])([H:26])[H:27].[H][O:12][H:21]