SMIRKS
[H]C1:C([H]):C([H]):C(C([H])([H])OC(=O)N([H])C([H])([H])C(=O)[N:10]([C:9]([C:7]([N:6]([C:5]([C:3](=[O:2])[O:4][H:25])([H:40])[H:41])[H:39])=[O:8])([H:37])[H:38])[H:36]):C([H]):C:1[H]>>[H][N:10]([C:9]([C:7]([N:6]([C:5]([C:3](=[O:2])[O:4][H:25])([H:40])[H:41])[H:39])=[O:8])([H:37])[H:38])[H:36]
Derived Operators
EVODEX.1-F258 - Elemental Balance
| C | -10 |
| N | -1 |
| O | -3 |
| H | -9 |
EVODEX.1-M308 - Mass Difference
-191.05827
EVODEX.1-E986 - Reaction Operator E
[#8]=[#6](-[#6](-[#7](-[#6](=[#8])-[#8]-[#6](-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])(-[H])-[H])-[H])(-[H])-[H])-[#7:16](-[#6@@:17])-[H:85]>>[#7:16](-[#6@@:17])(-[H:85])-[H]
EVODEX.1-C606 - Reaction Operator C
[H]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](-[H])(-[H])-[#8]-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:13]):[#6](-[H]):[#6]:1-[H]>>[H]-[#7:13]
EVODEX.1-N763 - Reaction Operator N
[H]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](-[H])(-[H])-[#8]-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:13](-[#6@:4])-[H:46]):[#6](-[H]):[#6]:1-[H]>>[H]-[#7:13](-[#6@:4])-[H:46]
Source Full Reactions
EVODEX.1-R5645
[O:2]=[C:3]([O:4][H:25])[C:5]([N:6]([C:7](=[O:8])[C:9]([N:10]([C:11](=[O:12])[C:13]([N:14]([C:15](=[O:16])[O:17][C:18]([C:19]1:[C:20]([H:26]):[C:21]([H:27]):[C:22]([H:28]):[C:23]([H:29]):[C:24]:1[H:30])([H:31])[H:32])[H:33])([H:34])[H:35])[H:36])([H:37])[H:38])[H:39])([H:40])[H:41].[H][O:1][H:42]>>[H][N:10]([C:9]([C:7]([N:6]([C:5]([C:3](=[O:2])[O:4][H:25])([H:40])[H:41])[H:39])=[O:8])([H:37])[H:38])[H:36].[O:1]([C:11](=[O:12])[C:13]([N:14]([C:15](=[O:16])[O:17][C:18]([C:19]1:[C:20]([H:26]):[C:21]([H:27]):[C:22]([H:28]):[C:23]([H:29]):[C:24]:1[H:30])([H:31])[H:32])[H:33])([H:34])[H:35])[H:42]