SMIRKS
O=[C:3]([C:2]([C:1]([H:20])([H:21])[H:22])([H:18])[H:19])[C:5](=[O:6])[O:7][H:17].[H]OC(=O)C([H])([H])[C@@]([H])(C(=O)O[H])[N:8]([H:28])[H:29]>>[H][C:3]([C:2]([C:1]([H:20])([H:21])[H:22])([H:18])[H:19])([C:5](=[O:6])[O:7][H:17])[N:8]([H:28])[H:29]
Derived Operators
EVODEX.1-F173 - Elemental Balance
| O | -5 |
| C | -4 |
| H | -4 |
EVODEX.1-M264 - Mass Difference
-132.00582
EVODEX.1-E843 - Reaction Operator E
[#7:1](-[#6@](-[#6](-[#6](=[#8])-[#8]-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H:26])-[H:27].[#6:15]-[#6:16](=[#8])-[#6:18]=[#8:19]>>[#7:1](-[#6:16](-[#6:15])(-[#6:18]=[#8:19])-[H])(-[H:26])-[H:27]
EVODEX.1-C422 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#8]-[H])-[#7:1].[#8]=[#6:13]>>[H]-[#6@@:13]-[#7:1]
EVODEX.1-N503 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#8]-[H])-[#7:1](-[H:26])-[H:27].[#8]=[#6:13](-[#6:11])-[#6:15]>>[H]-[#6@@:13](-[#7:1](-[H:26])-[H:27])(-[#6:11])-[#6:15]
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-R3510
[C:1]([C:2]([C:3](=[O:4])[C:5](=[O:6])[O:7][H:17])([H:18])[H:19])([H:20])([H:21])[H:22].[H][C@:9]([N:8]([H:28])[H:29])([C:10]([C:11](=[O:12])[O:13][H:23])([H:24])[H:25])[C:14](=[O:15])[O:16][H:26]>>[H][C:3]([C:2]([C:1]([H:20])([H:21])[H:22])([H:18])[H:19])([C:5](=[O:6])[O:7][H:17])[N:8]([H:28])[H:29].[O:4]=[C:9]([C:10]([C:11](=[O:12])[O:13][H:23])([H:24])[H:25])[C:14](=[O:15])[O:16][H:26]