SMIRKS
[N:1]([C@@:2]([C:3]([C:4](=[O:5])[H:19])([H:20])[H:21])([C:6](=[O:7])[O:8][H:22])[H:23])([H:24])[H:25]>>[H]N([H])[C:4]([H])([C:3]([C@:2]([N:1]([H:24])[H:25])([C:6](=[O:7])[O:8][H:22])[H:23])([H:20])[H:21])[H:19].[H]OC(=O)C(C([H])([H])C([H])([H])C(=O)O[H])=[O:5]
Derived Operators
EVODEX.1-F179 - Elemental Balance
| O | 4 |
| C | 5 |
| N | 1 |
| H | 9 |
EVODEX.1-M35 - Mass Difference
147.05317
EVODEX.1-E866 - Reaction Operator E
[#8:11]=[#6:12](-[#6:13])-[H:30]>>[#6](-[#6](-[#6](-[#6](=[#8])-[#8]-[H])(-[H])-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])=[#8:11].[#7](-[#6:12](-[#6:13])(-[H:30])-[H])(-[H])-[H]
EVODEX.1-C1289 - Reaction Operator C
([#6:4]=[#8:5].[#6@@:2])>>([H]-[#7](-[H])-[#6:4]-[H].[#6@:2]).[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8]-[H])=[#8:5]
EVODEX.1-N1605 - Reaction Operator N
[#7:1]-[#6@@:2](-[#6:3]-[#6:4](=[#8:5])-[H:19])(-[#6:6])-[H:23]>>[H]-[#7](-[H])-[#6:4](-[H])(-[#6:3]-[#6@:2](-[#7:1])(-[#6:6])-[H:23])-[H:19].[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8]-[H])=[#8:5]
EVODEX.1-Em106 - Reaction Operator Em
[#8:11]=[#6:12]-[#6:13]>>[#6](=[#8])-[#6](-[#6])=[#8:11].[H]-[#7](-[H])-[#6:12](-[H])-[#6:13]
EVODEX.1-Nm138 - Reaction Operator Nm
[#8:11]=[#6:12]-[#6:13]>>[#6]-[#6](-[#6])=[#8:11].[H]-[#7](-[H])-[#6:12](-[H])-[#6:13]
Source Full Reactions
EVODEX.1-R3767
[N:1]([C@@:2]([C:3]([C:4](=[O:5])[H:19])([H:20])[H:21])([C:6](=[O:7])[O:8][H:22])[H:23])([H:24])[H:25].[H][C@:10]([N:9]([H:33])[H:34])([C:11]([C:12]([C:13](=[O:14])[O:15][H:26])([H:27])[H:28])([H:29])[H:30])[C:16](=[O:17])[O:18][H:31]>>[H][C:4]([C:3]([C@:2]([N:1]([H:24])[H:25])([C:6](=[O:7])[O:8][H:22])[H:23])([H:20])[H:21])([N:9]([H:33])[H:34])[H:19].[O:5]=[C:10]([C:11]([C:12]([C:13](=[O:14])[O:15][H:26])([H:27])[H:28])([H:29])[H:30])[C:16](=[O:17])[O:18][H:31]