SMIRKS
[C:1]([N:2]([C:3](=[O:4])[C:5](=[O:6])[C:7]([C:8]([C:9](=[O:10])[O:11][H:24])([H:25])[H:26])([H:27])[H:28])[H:29])([H:30])([H:31])[H:32]>>[H]N([H])[C@:5]([H])([C:3]([N:2]([C:1]([H:30])([H:31])[H:32])[H:29])=[O:4])[C:7]([C:8]([C:9](=[O:10])[O:11][H:24])([H:25])[H:26])([H:27])[H:28].[H]OC(=O)C(C([H])([H])C1:C([H]):C([H]):C([H]):C([H]):C:1[H])=[O:6]
Derived Operators
EVODEX.1-F194 - Elemental Balance
| O | 2 |
| C | 9 |
| N | 1 |
| H | 11 |
EVODEX.1-M126 - Mass Difference
165.07903
EVODEX.1-E893 - Reaction Operator E
[#6:2]-[#6:5](=[#8:6])-[#6:7]=[#8:8]>>[#6:2]-[#6:5](-[#6:7]=[#8:8])(-[#7](-[H])-[H])-[H].[#8:6]=[#6](-[#6](-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])(-[H])-[H])-[#6](=[#8])-[#8]-[H]
EVODEX.1-C454 - Reaction Operator C
[#6:5]=[#8:6]>>[H]-[#7](-[H])-[#6:5]-[H].[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])=[#8:6]
EVODEX.1-N551 - Reaction Operator N
[#6:2]-[#6:5](=[#8:6])-[#6:7]>>[H]-[#7](-[H])-[#6:5](-[H])(-[#6:2])-[#6:7].[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])=[#8:6]
EVODEX.1-Em18 - Reaction Operator Em
[#8:10]=[#6:11]-[#6:13](=[#8:14])-[#6:15]>>[#6](=[#8])-[#6](-[#6])=[#8:14].[H]-[#7](-[H])-[#6:13](-[H])(-[#6:11]=[#8:10])-[#6:15]
EVODEX.1-Nm14 - Reaction Operator Nm
[#6:11]-[#6:13](=[#8:14])-[#6:15]>>[#6]-[#6](-[#6])=[#8:14].[H]-[#7](-[H])-[#6:13](-[H])(-[#6:11])-[#6:15]
Source Full Reactions
EVODEX.1-R3807
[C:1]([N:2]([C:3](=[O:4])[C:5](=[O:6])[C:7]([C:8]([C:9](=[O:10])[O:11][H:24])([H:25])[H:26])([H:27])[H:28])[H:29])([H:30])([H:31])[H:32].[H][C:13]([N:12]([H:42])[H:43])([C:14]([C:15]1:[C:16]([H:33]):[C:17]([H:34]):[C:18]([H:35]):[C:19]([H:36]):[C:20]:1[H:37])([H:38])[H:39])[C:21](=[O:22])[O:23][H:40]>>[H][C@@:5]([C:3]([N:2]([C:1]([H:30])([H:31])[H:32])[H:29])=[O:4])([C:7]([C:8]([C:9](=[O:10])[O:11][H:24])([H:25])[H:26])([H:27])[H:28])[N:12]([H:42])[H:43].[O:6]=[C:13]([C:14]([C:15]1:[C:16]([H:33]):[C:17]([H:34]):[C:18]([H:35]):[C:19]([H:36]):[C:20]:1[H:37])([H:38])[H:39])[C:21](=[O:22])[O:23][H:40]