SMIRKS
[H][C@@:3]([C:2]([C:1]([H:23])([H:24])[H:25])([H:21])[H:22])([N:4]([H:17])[H:18])[C:5](=[O:6])[O:7][H:19]>>O=[C:3]([C:2]([C:1]([H:23])([H:24])[H:25])([H:21])[H:22])[C:5](=[O:6])[O:7][H:19].[H]OC(=O)[C@]([H])(C([H])([H])C(=O)N([H])[H])[N:4]([H:17])[H:18]
Derived Operators
EVODEX.1-F437 - Elemental Balance
| O | 4 |
| C | 4 |
| N | 1 |
| H | 5 |
EVODEX.1-M420 - Mass Difference
131.02185
EVODEX.1-E1246 - Reaction Operator E
[#7:10](-[#6@@:11](-[#6:12])(-[#6:17]=[#8:18])-[H])(-[H:27])-[H:28]>>[#7](-[#6](=[#8])-[#6](-[#6@@](-[#6](=[#8])-[#8]-[H])(-[#7:10](-[H:27])-[H:28])-[H])(-[H])-[H])(-[H])-[H].[#8]=[#6:11](-[#6:12])-[#6:17]=[#8:18]
EVODEX.1-C434 - Reaction Operator C
[H]-[#6@:11]-[#7:10]>>[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[H])-[#7:10].[#8]=[#6:11]
EVODEX.1-N526 - Reaction Operator N
[H]-[#6@:11](-[#7:10](-[H:24])-[H:25])(-[#6:12])-[#6:16]>>[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[H])-[#7:10](-[H:24])-[H:25].[#8]=[#6:11](-[#6:12])-[#6:16]
EVODEX.1-Em17 - Reaction Operator Em
[H]-[#6:2](-[#7:1])(-[#6:3])-[#6:14]=[#8:15]>>[#8]=[#6:2](-[#6:3])-[#6:14]=[#8:15].[#6]-[#6](-[H])(-[#6])-[#7:1]
EVODEX.1-Nm13 - Reaction Operator Nm
[H]-[#6:39](-[#7:40])(-[#6:5])-[#6:37]>>[#8]=[#6:39](-[#6:5])-[#6:37].[#6]-[#6](-[H])(-[#6])-[#7:40]
Source Full Reactions
EVODEX.1-R3552
[H][C@@:3]([C:2]([C:1]([H:23])([H:24])[H:25])([H:21])[H:22])([N:4]([H:17])[H:18])[C:5](=[O:6])[O:7][H:19].[N:8]([C:9](=[O: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]([C:2]([C:3]([C:5](=[O:6])[O:7][H:19])=[O:13])([H:21])[H:22])([H:23])([H:24])[H:25].[H][C@:12]([N:4]([H:17])[H:18])([C:11]([C:9]([N:8]([H:29])[H:30])=[O:10])([H:27])[H:28])[C:14](=[O:15])[O:16][H:26]