SMIRKS
[H]N([C@]1([H])C(=O)OC([H])([H])C1([H])[H])[C:8]([C:7]([C:5]([C:4]([C:3]([C:2]([C:1]([H:32])([H:33])[H:34])([H:30])[H:31])([H:28])[H:29])([H:26])[H:27])=[O:6])([H:24])[H:25])=[O:9]>>[H]O[C:8]([C:7]([C:5]([C:4]([C:3]([C:2]([C:1]([H:32])([H:33])[H:34])([H:30])[H:31])([H:28])[H:29])([H:26])[H:27])=[O:6])([H:24])[H:25])=[O:9]
Derived Operators
EVODEX.1-F470 - Elemental Balance
| O | -1 |
| C | -4 |
| N | -1 |
| H | -5 |
EVODEX.1-M449 - Mass Difference
-83.03715000000001
EVODEX.1-E1284 - Reaction Operator E
[#6:7]-[#6:8](=[#8:9])-[#7](-[#6@@]1(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#8]-[#6]-1=[#8])-[H]>>[#6:7]-[#6:8](=[#8:9])-[#8]-[H]
EVODEX.1-C516 - Reaction Operator C
[H]-[#7](-[#6@]1(-[H])-[#6](=[#8])-[#8]-[#6](-[H])(-[H])-[#6]-1(-[H])-[H])-[#6:8]>>[H]-[#8]-[#6:8]
EVODEX.1-N652 - Reaction Operator N
[H]-[#7](-[#6@]1(-[H])-[#6](=[#8])-[#8]-[#6](-[H])(-[H])-[#6]-1(-[H])-[H])-[#6:8](-[#6:7])=[#8:9]>>[H]-[#8]-[#6:8](-[#6:7])=[#8:9]
EVODEX.1-Em3 - Reaction Operator Em
[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43]>>[H]-[#8]-[#6:42](-[#6:40])=[#8:43]
EVODEX.1-Nm3 - Reaction Operator Nm
[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43]>>[H]-[#8]-[#6:42](-[#6:40])=[#8:43]
Source Full Reactions
EVODEX.1-R6520
[C:1]([C:2]([C:3]([C:4]([C:5](=[O:6])[C:7]([C:8](=[O:9])[N:10]([C@@:11]1([H:18])[C:12]([H:19])([H:20])[C:13]([H:21])([H:22])[O:14][C:15]1=[O:16])[H:23])([H:24])[H:25])([H:26])[H:27])([H:28])[H:29])([H:30])[H:31])([H:32])([H:33])[H:34].[H][O:17][H:35]>>[C:1]([C:2]([C:3]([C:4]([C:5](=[O:6])[C:7]([C:8](=[O:9])[O:17][H:35])([H:24])[H:25])([H:26])[H:27])([H:28])[H:29])([H:30])[H:31])([H:32])([H:33])[H:34].[H][N:10]([C@@:11]1([H:18])[C:12]([H:19])([H:20])[C:13]([H:21])([H:22])[O:14][C:15]1=[O:16])[H:23]