SMIRKS
O=[C:5]([C:4]([C:2]([C:1]([H:20])([H:21])[H:22])([C:3]([H:13])([H:14])[H:15])[H:19])([H:17])[H:18])[C:7](=[O:8])[O:9][H:16].[H][O:11][O:12][H]>>[H]N([H])[C@@:5]([H])([C:4]([C:2]([C:1]([H:20])([H:21])[H:22])([C:3]([H:13])([H:14])[H:15])[H:19])([H:17])[H:18])[C:7](=[O:8])[O:9][H:16].[O:11]=[O:12]
Derived Operators
EVODEX.1-F251 - Elemental Balance
| O | -1 |
| N | 1 |
| H | 1 |
EVODEX.1-M76 - Mass Difference
-0.9839699999999996
EVODEX.1-E977 - Reaction Operator E
[#8:2]=[#6:3]-[#6:5](=[#8])-[#6:7].[#8:9](-[#8:10]-[H])-[H]>>[#7](-[#6@@:5](-[#6:3]=[#8:2])(-[#6:7])-[H])(-[H])-[H].[#8:9]=[#8:10]
EVODEX.1-C104 - Reaction Operator C
[#8]=[#6:19].[H]-[#8:24]-[#8:25]-[H]>>[H]-[#7](-[H])-[#6:19]-[H].[#8:24]=[#8:25]
EVODEX.1-N238 - Reaction Operator N
[#8]=[#6:5](-[#6:3])-[#6:7].[H]-[#8:17]-[#8:18]-[H]>>[H]-[#7](-[H])-[#6@:5](-[H])(-[#6:3])-[#6:7].[#8:17]=[#8:18]
EVODEX.1-Em360 - Reaction Operator Em
[#8]=[#6:5](-[#6:3]=[#8:2])-[#6:7].[H]-[#8:17]-[#8:18]-[H]>>[H]-[#7](-[H])-[#6:5](-[H])(-[#6:3]=[#8:2])-[#6:7].[#8:17]=[#8:18]
EVODEX.1-Cm129 - Reaction Operator Cm
[#8]=[#6:19].[H]-[#8:24]-[#8:25]-[H]>>[#7]-[#6:19]-[H].[#8:24]=[#8:25]
EVODEX.1-Nm320 - Reaction Operator Nm
[#8]=[#6:5](-[#6:3])-[#6:7].[H]-[#8:17]-[#8:18]-[H]>>[H]-[#7](-[H])-[#6:5](-[H])(-[#6:3])-[#6:7].[#8:17]=[#8:18]
Source Full Reactions
EVODEX.1-R951
[C:1]([C:2]([C:3]([H:13])([H:14])[H:15])([C:4]([C:5](=[O:6])[C:7](=[O:8])[O:9][H:16])([H:17])[H:18])[H:19])([H:20])([H:21])[H:22].[H][N:10]([H:23])[H:24].[H][O:11][O:12][H]>>[H][C@:5]([C:4]([C:2]([C:1]([H:20])([H:21])[H:22])([C:3]([H:13])([H:14])[H:15])[H:19])([H:17])[H:18])([C:7](=[O:8])[O:9][H:16])[N:10]([H:23])[H:24].[O:11]=[O:12].[H][O:6][H]