SMIRKS
[H]N([H])[C@@:4]([H])([C:3]([C:2]([N:1]([H:20])[H:21])([H:18])[H:19])([H:16])[H:17])[C:6](=[O:7])[O:8][H:14].[O:10]=[O:11]>>O=[C:4]([C:3]([C:2]([N:1]([H:20])[H:21])([H:18])[H:19])([H:16])[H:17])[C:6](=[O:7])[O:8][H:14].[H][O:10][O:11][H]
Derived Operators
EVODEX.1-F74 - Elemental Balance
| O | 1 |
| N | -1 |
| H | -1 |
EVODEX.1-M17 - Mass Difference
0.9839699999999996
EVODEX.1-C61 - Reaction Operator C
[H]-[#7](-[H])-[#6:7]-[H].[#8:11]=[#8:12]>>[#8]=[#6:7].[H]-[#8:11]-[#8:12]-[H]
EVODEX.1-N44 - Reaction Operator N
[H]-[#7](-[H])-[#6:2](-[H])(-[#6:1])-[#6:4].[#8:12]=[#8:13]>>[#8]=[#6:2](-[#6:1])-[#6:4].[H]-[#8:12]-[#8:13]-[H]
EVODEX.1-Em345 - Reaction Operator Em
[H]-[#7](-[H])-[#6:4](-[H])(-[#6:3])-[#6:6]=[#8:7].[#8:10]=[#8:11]>>[#8]=[#6:4](-[#6:3])-[#6:6]=[#8:7].[H]-[#8:10]-[#8:11]-[H]
EVODEX.1-Cm98 - Reaction Operator Cm
[#7]-[#6:7]-[H].[#8:11]=[#8:12]>>[#8]=[#6:7].[H]-[#8:11]-[#8:12]-[H]
EVODEX.1-Nm117 - Reaction Operator Nm
[H]-[#7](-[H])-[#6:2](-[H])(-[#6:1])-[#6:4].[#8:12]=[#8:13]>>[#8]=[#6:2](-[#6:1])-[#6:4].[H]-[#8:12]-[#8:13]-[H]
Source Full Reactions
EVODEX.1-R974
[H][C@@:4]([C:3]([C:2]([N:1]([H:20])[H:21])([H:18])[H:19])([H:16])[H:17])([N:5]([H:12])[H:13])[C:6](=[O:7])[O:8][H:14].[O:10]=[O:11].[H][O:9][H]>>[N:1]([C:2]([C:3]([C:4]([C:6](=[O:7])[O:8][H:14])=[O:9])([H:16])[H:17])([H:18])[H:19])([H:20])[H:21].[H][N:5]([H:12])[H:13].[H][O:10][O:11][H]