SMIRKS
[H]N([H])[C@@:6]([H])([C:5]([C:4]([C:2]([N:1]([H:28])[H:29])=[O:3])([H:26])[H:27])([H:24])[H:25])[C:8](=[O:9])[O:10][H:22].[H]OC(=O)C(C([H])([H])C(=O)O[H])=[O:16]>>[N:1]([C:2](=[O:3])[C:4]([C:5]([C:6]([C:8](=[O:9])[O:10][H:22])=[O:16])([H:24])[H:25])([H:26])[H:27])([H:28])[H:29]
Derived Operators
EVODEX.1-F435 - Elemental Balance
| O | -4 |
| C | -4 |
| N | -1 |
| H | -7 |
EVODEX.1-M184 - Mass Difference
-133.03751
EVODEX.1-E1239 - Reaction Operator E
[#7](-[#6@@:2](-[#6:3])(-[#6:14]=[#8:15])-[H])(-[H])-[H].[#8]=[#6](-[#8]-[H])-[#6](-[#6](=[#8:22])-[#6](=[#8])-[#8]-[H])(-[H])-[H]>>[#6:2](-[#6:3])(-[#6:14]=[#8:15])=[#8:22]
EVODEX.1-C423 - Reaction Operator C
[H]-[#7](-[H])-[#6@@:5]-[H].[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[#6](=[#8])-[#8]-[H])=[#8:15]>>[#6:5]=[#8:15]
EVODEX.1-N504 - Reaction Operator N
[H]-[#7](-[H])-[#6@@:5](-[H])(-[#6:4])-[#6:7].[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[#6](=[#8])-[#8]-[H])=[#8:15]>>[#6:4]-[#6:5](-[#6:7])=[#8:15]
EVODEX.1-Em14 - Reaction Operator Em
[#6](=[#8])-[#6](-[#6])=[#8:6].[H]-[#7](-[H])-[#6:11](-[H])(-[#6:12])-[#6:21]=[#8:22]>>[#8:6]=[#6:11](-[#6:12])-[#6:21]=[#8:22]
EVODEX.1-Nm12 - Reaction Operator Nm
[H]-[#7](-[H])-[#6:39](-[H])(-[#6:5])-[#6:37].[#6]-[#6](-[#6])=[#8:47]>>[#6:5]-[#6:39](-[#6:37])=[#8:47]
Source Full Reactions
EVODEX.1-R3572
[H][C@@:6]([C:5]([C:4]([C:2]([N:1]([H:28])[H:29])=[O:3])([H:26])[H:27])([H:24])[H:25])([N:7]([H:20])[H:21])[C:8](=[O:9])[O:10][H:22].[O:11]=[C:12]([O:13][H:30])[C:14]([C:15](=[O:16])[C:17](=[O:18])[O:19][H:31])([H:32])[H:33]>>[N:1]([C:2](=[O:3])[C:4]([C:5]([C:6]([C:8](=[O:9])[O:10][H:22])=[O:16])([H:24])[H:25])([H:26])[H:27])([H:28])[H:29].[H][C@:15]([N:7]([H:20])[H:21])([C:14]([C:12](=[O:11])[O:13][H:30])([H:32])[H:33])[C:17](=[O:18])[O:19][H:31]