SMIRKS
O=[C:7]([C:6]1:[C:5]([H:15]):[C:4]([H:14]):[C:3]([H:13]):[C:2]([C:1]([H:18])([H:19])[H:20]):[C:9]:1[H:17])[H:16].[H][N:10]([H:21])[H:22].[H][O:11][O:12][H]>>[H][C:7]([C:6]1:[C:5]([H:15]):[C:4]([H:14]):[C:3]([H:13]):[C:2]([C:1]([H:18])([H:19])[H:20]):[C:9]:1[H:17])([N:10]([H:21])[H:22])[H:16].[O:11]=[O:12]
Derived Operators
EVODEX.1-F33 - Elemental Balance
| O | -1 |
| H | -2 |
EVODEX.1-M4 - Mass Difference
-18.010559999999998
EVODEX.1-E492 - Reaction Operator E
[#6:18]-[#6:19](=[#8])-[H:31].[#7:23](-[H:42])(-[H:43])-[H].[#8:24](-[#8:25]-[H])-[H]>>[#6:18]-[#6:19](-[#7:23](-[H:42])-[H:43])(-[H:31])-[H].[#8:24]=[#8:25]
EVODEX.1-C105 - Reaction Operator C
[#8]=[#6:19].[H]-[#7:23].[H]-[#8:24]-[#8:25]-[H]>>[H]-[#6:19]-[#7:23].[#8:24]=[#8:25]
EVODEX.1-N244 - Reaction Operator N
[#8]=[#6:19](-[#6:18])-[H:33].[H]-[#7:23](-[H:42])-[H:43].[H]-[#8:24]-[#8:25]-[H]>>[H]-[#6:19](-[#6:18])(-[#7:23](-[H:42])-[H:43])-[H:33].[#8:24]=[#8:25]
EVODEX.1-Em366 - Reaction Operator Em
[#8]=[#6:19]-[#6:18].[H]-[#7:23].[H]-[#8:24]-[#8:25]-[H]>>[H]-[#6:19](-[#6:18])-[#7:23].[#8:24]=[#8:25]
EVODEX.1-Cm130 - Reaction Operator Cm
[#8]=[#6:19].[H]-[#7:23].[H]-[#8:24]-[#8:25]-[H]>>[H]-[#6:19]-[#7:23].[#8:24]=[#8:25]
EVODEX.1-Nm326 - Reaction Operator Nm
[#8]=[#6:19]-[#6:18].[H]-[#7:23].[H]-[#8:24]-[#8:25]-[H]>>[H]-[#6:19](-[#6:18])-[#7:23].[#8:24]=[#8:25]
Source Full Reactions
EVODEX.1-R1016
[C:1]([C:2]1:[C:3]([H:13]):[C:4]([H:14]):[C:5]([H:15]):[C:6]([C:7](=[O:8])[H:16]):[C:9]:1[H:17])([H:18])([H:19])[H:20].[H][N:10]([H:21])[H:22].[H][O:11][O:12][H]>>[H][C:7]([C:6]1:[C:5]([H:15]):[C:4]([H:14]):[C:3]([H:13]):[C:2]([C:1]([H:18])([H:19])[H:20]):[C:9]:1[H:17])([N:10]([H:21])[H:22])[H:16].[O:11]=[O:12].[H][O:8][H]