SMIRKS
[N:10]([C:11]([C:12]([C:13]([C:14]([C:15](=[O:16])[C:17](=[O:18])[O:19][H:33])([H:34])[H:35])([H:36])[H:37])([H:38])[H:39])([H:40])[H:41])([H:42])[H:43]>>[H]OC(=O)C(C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])=[O:16].[H]N([H])[C:15]([H])([C:14]([C:13]([C:12]([C:11]([N:10]([H:42])[H:43])([H:40])[H:41])([H:38])[H:39])([H:36])[H:37])([H:34])[H:35])[C:17](=[O:18])[O:19][H:33]
Derived Operators
EVODEX.1-F137 - Elemental Balance
| O | 2 |
| C | 6 |
| N | 1 |
| H | 13 |
EVODEX.1-M67 - Mass Difference
131.09469
EVODEX.1-E788 - Reaction Operator E
[#6:15]-[#6:16](=[#8:17])-[#6:18]=[#8:19]>>[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[#6](-[#6](=[#8])-[#8]-[H])=[#8:17])(-[H])-[H])-[H])(-[H])(-[H])-[H].[#7](-[#6:16](-[#6:15])(-[#6:18]=[#8:19])-[H])(-[H])-[H]
EVODEX.1-C452 - Reaction Operator C
[#6:15]=[#8:16]>>[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])=[#8:16].[H]-[#7](-[H])-[#6:15]-[H]
EVODEX.1-N549 - Reaction Operator N
[#6:14]-[#6:15](=[#8:16])-[#6:17]>>[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])=[#8:16].[H]-[#7](-[H])-[#6:15](-[H])(-[#6:14])-[#6:17]
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-R3752
[H][C@@:5]([C:4]([C:2]([C:1]([H:30])([H:31])[H:32])([C:3]([H:20])([H:21])[H:22])[H:29])([H:27])[H:28])([N:6]([H:23])[H:24])[C:7](=[O:8])[O:9][H:25].[N:10]([C:11]([C:12]([C:13]([C:14]([C:15](=[O:16])[C:17](=[O:18])[O:19][H:33])([H:34])[H:35])([H:36])[H:37])([H:38])[H:39])([H:40])[H:41])([H:42])[H:43]>>[C:1]([C:2]([C:3]([H:20])([H:21])[H:22])([C:4]([C:5]([C:7](=[O:8])[O:9][H:25])=[O:16])([H:27])[H:28])[H:29])([H:30])([H:31])[H:32].[H][C:15]([N:6]([H:23])[H:24])([C:14]([C:13]([C:12]([C:11]([N:10]([H:42])[H:43])([H:40])[H:41])([H:38])[H:39])([H:36])[H:37])([H:34])[H:35])[C:17](=[O:18])[O:19][H:33]