SMIRKS
O=[C:9]([C:8]1:[C:7]([H:20]):[C:6]([H:19]):[C:5]([C:4]([N:2]([C:1]([H:26])([H:27])[H:28])[C:3]([H:16])([H:17])[H:18])([H:24])[H:25]):[C:12]([H:23]):[C:11]:1[H:22])[H:21].[H][O:14][O:15][H]>>[H]N([H])[C:9]([H])([C:8]1:[C:7]([H:20]):[C:6]([H:19]):[C:5]([C:4]([N:2]([C:1]([H:26])([H:27])[H:28])[C:3]([H:16])([H:17])[H:18])([H:24])[H:25]):[C:12]([H:23]):[C:11]:1[H:22])[H:21].[O:14]=[O:15]
Derived Operators
EVODEX.1-F251 - Elemental Balance
| O | -1 |
| N | 1 |
| H | 1 |
EVODEX.1-M76 - Mass Difference
-0.9839699999999996
EVODEX.1-E976 - Reaction Operator E
[#6:18]-[#6:19](=[#8])-[H:31].[#8:24](-[#8:25]-[H])-[H]>>[#6:18]-[#6:19](-[#7](-[H])-[H])(-[H:31])-[H].[#8:24]=[#8:25]
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-N246 - Reaction Operator N
[#8]=[#6:19](-[#6:18])-[H:31].[H]-[#8:24]-[#8:25]-[H]>>[H]-[#7](-[H])-[#6:19](-[H])(-[#6:18])-[H:31].[#8:24]=[#8:25]
EVODEX.1-Em368 - Reaction Operator Em
[#8]=[#6:19]-[#6:18].[H]-[#8:24]-[#8:25]-[H]>>[H]-[#7](-[H])-[#6:19](-[H])-[#6:18].[#8:24]=[#8:25]
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-Nm328 - Reaction Operator Nm
[#8]=[#6:19]-[#6:18].[H]-[#8:24]-[#8:25]-[H]>>[H]-[#7](-[H])-[#6:19](-[H])-[#6:18].[#8:24]=[#8:25]
Source Full Reactions
EVODEX.1-R989
[C:1]([N:2]([C:3]([H:16])([H:17])[H:18])[C:4]([C:5]1:[C:6]([H:19]):[C:7]([H:20]):[C:8]([C:9](=[O:10])[H:21]):[C:11]([H:22]):[C:12]:1[H:23])([H:24])[H:25])([H:26])([H:27])[H:28].[H][N:13]([H:29])[H:30].[H][O:14][O:15][H]>>[H][C:9]([C:8]1:[C:7]([H:20]):[C:6]([H:19]):[C:5]([C:4]([N:2]([C:1]([H:26])([H:27])[H:28])[C:3]([H:16])([H:17])[H:18])([H:24])[H:25]):[C:12]([H:23]):[C:11]:1[H:22])([N:13]([H:29])[H:30])[H:21].[O:14]=[O:15].[H][O:10][H]