SMIRKS
[H][C@@:2]([N:1]([H:24])[H:25])([C:3]([O:4][H:19])([H:20])[H:21])[C:5](=[O:6])[O:7][H:22]>>O=[C:2]([C:3]([O:4][H:19])([H:20])[H:21])[C:5](=[O:6])[O:7][H:22].[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])(C(=O)O[H])[N:1]([H:24])[H:25]
Derived Operators
EVODEX.1-F149 - Elemental Balance
| C | 6 |
| O | 5 |
| H | 8 |
EVODEX.1-M250 - Mass Difference
160.03713999999997
EVODEX.1-E812 - Reaction Operator E
[#6:2]-[#6@@:4](-[#7:5](-[H:23])-[H:24])(-[#6:6]=[#8:7])-[H]>>[#6:2]-[#6:4](-[#6:6]=[#8:7])=[#8].[#7:5](-[#6](-[#6](-[#6](-[#6](-[#6](=[#8])-[#8]-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H:23])-[H:24]
EVODEX.1-C467 - Reaction Operator C
[H]-[#6@:4]-[#7:5]>>[#8]=[#6:4].[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](=[#8])-[#8]-[H])-[#7:5]
EVODEX.1-N567 - Reaction Operator N
[H]-[#6@:4](-[#6:2])(-[#7:5](-[H:23])-[H:24])-[#6:6]>>[#8]=[#6:4](-[#6:2])-[#6:6].[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](=[#8])-[#8]-[H])-[#7:5](-[H:23])-[H:24]
EVODEX.1-Em17 - Reaction Operator Em
[H]-[#6:2](-[#7:1])(-[#6:3])-[#6:14]=[#8:15]>>[#8]=[#6:2](-[#6:3])-[#6:14]=[#8:15].[#6]-[#6](-[H])(-[#6])-[#7:1]
EVODEX.1-Nm13 - Reaction Operator Nm
[H]-[#6:39](-[#7:40])(-[#6:5])-[#6:37]>>[#8]=[#6:39](-[#6:5])-[#6:37].[#6]-[#6](-[H])(-[#6])-[#7:40]
Source Full Reactions
EVODEX.1-R3844
[H][C@@:2]([N:1]([H:24])[H:25])([C:3]([O:4][H:19])([H:20])[H:21])[C:5](=[O:6])[O:7][H:22].[O:8]=[C:9]([O:10][H:26])[C:11]([C:12]([C:13]([C:14](=[O:15])[C:16](=[O:17])[O:18][H:27])([H:28])[H:29])([H:30])[H:31])([H:32])[H:33]>>[C:2]([C:3]([O:4][H:19])([H:20])[H:21])([C:5](=[O:6])[O:7][H:22])=[O:15].[H][C:14]([N:1]([H:24])[H:25])([C:13]([C:12]([C:11]([C:9](=[O:8])[O:10][H:26])([H:32])[H:33])([H:30])[H:31])([H:28])[H:29])[C:16](=[O:17])[O:18][H:27]