SMIRKS
[H]N([H])[C@@:2]([H])([C:3]([C:4]1:[C:5]([H:21]):[N:6]([H:22]):[C:7]([H:23]):[N:8]:1)([H:24])[H:25])[C:9](=[O:10])[O:11][H:26].[H]OC(=O)C([H])([H])C([H])([H])C(=O)C([H])=[O:12]>>[C:2]([C:3]([C:4]1:[C:5]([H:21]):[N:6]([H:22]):[C:7]([H:23]):[N:8]:1)([H:24])[H:25])([C:9](=[O:10])[O:11][H:26])=[O:12]
Derived Operators
EVODEX.1-F271 - Elemental Balance
| O | -3 |
| C | -5 |
| N | -1 |
| H | -9 |
EVODEX.1-M311 - Mass Difference
-131.05827
EVODEX.1-E1019 - Reaction Operator E
[#7](-[#6@@:2](-[#6:3])(-[#6:10]=[#8:11])-[H])(-[H])-[H].[#8:13]=[#6](-[#6](=[#8])-[#6](-[#6](-[#6](=[#8])-[#8]-[H])(-[H])-[H])(-[H])-[H])-[H]>>[#6:2](-[#6:3])(-[#6:10]=[#8:11])=[#8:13]
EVODEX.1-C461 - Reaction Operator C
[H]-[#7](-[H])-[#6@@:5]-[H].[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#6](-[H])=[#8:10]>>[#6:5]=[#8:10]
EVODEX.1-N561 - Reaction Operator N
[H]-[#7](-[H])-[#6@@:5](-[H])(-[#6:4])-[#6:7].[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#6](-[H])=[#8:10]>>[#6:4]-[#6:5](-[#6:7])=[#8:10]
EVODEX.1-Em552 - Reaction Operator Em
[H]-[#7](-[H])-[#6:5](-[H])(-[#6:4])-[#6:7]=[#8:8].[#6](=[#8])-[#6](-[H])=[#8:10]>>[#6:4]-[#6:5](-[#6:7]=[#8:8])=[#8:10]
EVODEX.1-Nm498 - Reaction Operator Nm
[H]-[#7](-[H])-[#6:5](-[H])(-[#6:4])-[#6:7].[#6]-[#6](-[H])=[#8:10]>>[#6:4]-[#6:5](-[#6:7])=[#8:10]
Source Full Reactions
EVODEX.1-R3759
[H][C@:2]([N:1]([H:28])[H:29])([C:3]([C:4]1:[C:5]([H:21]):[N:6]([H:22]):[C:7]([H:23]):[N:8]:1)([H:24])[H:25])[C:9](=[O:10])[O:11][H:26].[O:12]=[C:13]([C:14](=[O:15])[C:16]([C:17]([C:18](=[O:19])[O:20][H:30])([H:31])[H:32])([H:33])[H:34])[H:35]>>[C:2]([C:3]([C:4]1:[C:5]([H:21]):[N:6]([H:22]):[C:7]([H:23]):[N:8]:1)([H:24])[H:25])([C:9](=[O:10])[O:11][H:26])=[O:12].[H][C:13]([N:1]([H:28])[H:29])([C:14](=[O:15])[C:16]([C:17]([C:18](=[O:19])[O:20][H:30])([H:31])[H:32])([H:33])[H:34])[H:35]