SMIRKS
[H][C:5]([C:3]([N:2]([C:1]([H:22])([H:23])[H:24])[H:21])=[O:4])([N:6]([H:17])[H:18])[H:19].[H]OC(=O)C(=O)[C:11]([C:10]([C:8](=[O:7])[O:9][H:25])([H:29])[H:30])([H:27])[H:28]>>[C:1]([N:2]([C:3](=[O:4])[C@@:5]([N:6]([H:17])[H:18])([C:11]([C:10]([C:8](=[O:7])[O:9][H:25])([H:29])[H:30])([H:27])[H:28])[H:19])[H:21])([H:22])([H:23])[H:24]
Derived Operators
EVODEX.1-F97 - Elemental Balance
| C | -2 |
| O | -3 |
| H | -2 |
EVODEX.1-M109 - Mass Difference
-74.00036
EVODEX.1-E683 - Reaction Operator E
[#7:1]-[#6:2](-[#6:3])(-[H:20])-[H].[#8]=[#6](-[#8]-[H])-[#6](=[#8])-[#6:11](-[#6:12])(-[H:30])-[H:31]>>[#7:1]-[#6@:2](-[#6:3])(-[#6:11](-[#6:12])(-[H:30])-[H:31])-[H:20]
EVODEX.1-C463 - Reaction Operator C
[H]-[#6:2].[H]-[#8]-[#6](=[#8])-[#6](=[#8])-[#6:11]>>[#6:11]-[#6@:2]
EVODEX.1-N563 - Reaction Operator N
[H]-[#6:2](-[#7:1])(-[#6:3])-[H:20].[H]-[#8]-[#6](=[#8])-[#6](=[#8])-[#6:11](-[#6:12])(-[H:30])-[H:31]>>[#7:1]-[#6@:2](-[#6:3])(-[#6:11](-[#6:12])(-[H:30])-[H:31])-[H:20]
EVODEX.1-Em554 - Reaction Operator Em
[H]-[#6:2](-[#7:1])-[#6:3].[#6](=[#8])-[#6](=[#8])-[#6:11]-[#6:12]>>[#7:1]-[#6:2](-[#6:3])-[#6:11]-[#6:12]
EVODEX.1-Nm500 - Reaction Operator Nm
[H]-[#6:2](-[#7:1])-[#6:3].[#6]-[#6](=[#8])-[#6:11]-[#6:12]>>[#7:1]-[#6:2](-[#6:3])-[#6:11]-[#6:12]
Source Full Reactions
EVODEX.1-R3810
[H][C:5]([C:3]([N:2]([C:1]([H:22])([H:23])[H:24])[H:21])=[O:4])([N:6]([H:17])[H:18])[H:19].[O:7]=[C:8]([O:9][H:25])[C:10]([C:11]([C:12](=[O:13])[C:14](=[O:15])[O:16][H:26])([H:27])[H:28])([H:29])[H:30]>>[C:1]([N:2]([C:3](=[O:4])[C@@:5]([N:6]([H:17])[H:18])([C:11]([C:10]([C:8](=[O:7])[O:9][H:25])([H:29])[H:30])([H:27])[H:28])[H:19])[H:21])([H:22])([H:23])[H:24].[H][C:12](=[O:13])[C:14](=[O:15])[O:16][H:26]