SMIRKS
O=[C:12]([C:11]([C:10]([H:20])([H:21])[H:22])([H:18])[H:19])[C:14](=[O:15])[O:16][H:17].[H]OC(=O)[C@]([H])(C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])[N:6]([H:26])[H:27]>>[H][C:12]([N:6]([H:26])[H:27])([C:11]([C:10]([H:20])([H:21])[H:22])([H:18])[H:19])[C:14](=[O:15])[O:16][H:17]
Derived Operators
EVODEX.1-F42 - Elemental Balance
| O | -3 |
| C | -6 |
| H | -10 |
EVODEX.1-M208 - Mass Difference
-130.06300000000002
EVODEX.1-E518 - Reaction Operator E
[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[#6@@](-[#7:6](-[H:24])-[H:25])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])-[H])-[H])(-[H])(-[H])-[H].[#6:15]-[#6:16](=[#8])-[#6:18]=[#8:19]>>[#7:6](-[#6:16](-[#6:15])(-[#6:18]=[#8:19])-[H])(-[H:24])-[H:25]
EVODEX.1-C443 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@](-[H])(-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#7:6].[#8]=[#6:15]>>[H]-[#6@:15]-[#7:6]
EVODEX.1-N540 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@](-[H])(-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#7:6](-[H:23])-[H:24].[#8]=[#6:15](-[#6:14])-[#6:17]>>[H]-[#6@:15](-[#7:6](-[H:23])-[H:24])(-[#6:14])-[#6:17]
EVODEX.1-Em19 - Reaction Operator Em
[#6]-[#6](-[H])(-[#6])-[#7:5].[#8]=[#6:15](-[#6:14])-[#6:17]=[#8:18]>>[H]-[#6:15](-[#7:5])(-[#6:14])-[#6:17]=[#8:18]
EVODEX.1-Nm15 - Reaction Operator Nm
[#6]-[#6](-[H])(-[#6])-[#7:5].[#8]=[#6:15](-[#6:14])-[#6:17]>>[H]-[#6:15](-[#7:5])(-[#6:14])-[#6:17]
Source Full Reactions
EVODEX.1-R3679
[C:10]([C:11]([C:12](=[O:13])[C:14](=[O:15])[O:16][H:17])([H:18])[H:19])([H:20])([H:21])[H:22].[H][C@@:5]([C:4]([C:2]([C:1]([H:33])([H:34])[H:35])([C:3]([H:23])([H:24])[H:25])[H:32])([H:30])[H:31])([N:6]([H:26])[H:27])[C:7](=[O:8])[O:9][H:28]>>[C:1]([C:2]([C:3]([H:23])([H:24])[H:25])([C:4]([C:5]([C:7](=[O:8])[O:9][H:28])=[O:13])([H:30])[H:31])[H:32])([H:33])([H:34])[H:35].[H][C:12]([N:6]([H:26])[H:27])([C:11]([C:10]([H:20])([H:21])[H:22])([H:18])[H:19])[C:14](=[O:15])[O:16][H:17]