SMIRKS
[H][C:8]([N:7]([H:31])[H:32])([C:9]([C:10]([C:11]([C:12]([C:13](=[O:14])[O:15][H:20])([H:21])[H:22])([H:23])[H:24])([H:25])[H:26])([H:27])[H:28])[H:29]>>[H]OC(=O)[C@]([H])(C([H])([H])[H])[N:7]([H:31])[H:32].O=[C:8]([C:9]([C:10]([C:11]([C:12]([C:13](=[O:14])[O:15][H:20])([H:21])[H:22])([H:23])[H:24])([H:25])[H:26])([H:27])[H:28])[H:29]
Derived Operators
EVODEX.1-F56 - Elemental Balance
| O | 3 |
| C | 3 |
| H | 4 |
EVODEX.1-M31 - Mass Difference
88.01602
EVODEX.1-E586 - Reaction Operator E
[#7:7](-[#6:8](-[#6:9])(-[H:20])-[H])(-[H:22])-[H:23]>>[#6](-[#6](-[#6](=[#8])-[#8]-[H])(-[#7:7](-[H:22])-[H:23])-[H])(-[H])(-[H])-[H].[#8]=[#6:8](-[#6:9])-[H:20]
EVODEX.1-C124 - Reaction Operator C
[H]-[#6@@:8]-[#7:7]>>[H]-[#8]-[#6](=[#8])-[#6@](-[H])(-[#6](-[H])(-[H])-[H])-[#7:7].[#8]=[#6:8]
EVODEX.1-N513 - Reaction Operator N
[H]-[#6:8](-[#7:7](-[H:24])-[H:25])(-[#6:9])-[H:22]>>[H]-[#8]-[#6](=[#8])-[#6@](-[H])(-[#6](-[H])(-[H])-[H])-[#7:7](-[H:24])-[H:25].[#8]=[#6:8](-[#6:9])-[H:22]
EVODEX.1-Em108 - Reaction Operator Em
[H]-[#6:8](-[#7:7])-[#6:9]>>[#6]-[#6](-[H])(-[#6])-[#7:7].[#8]=[#6:8]-[#6:9]
EVODEX.1-Nm141 - Reaction Operator Nm
[H]-[#6:8](-[#7:7])-[#6:9]>>[#6]-[#6](-[H])(-[#6])-[#7:7].[#8]=[#6:8]-[#6:9]
Source Full Reactions
EVODEX.1-R3532
[C:1]([C:2](=[O:3])[C:4](=[O:5])[O:6][H:16])([H:17])([H:18])[H:19].[H][C:8]([N:7]([H:31])[H:32])([C:9]([C:10]([C:11]([C:12]([C:13](=[O:14])[O:15][H:20])([H:21])[H:22])([H:23])[H:24])([H:25])[H:26])([H:27])[H:28])[H:29]>>[H][C@:2]([C:1]([H:17])([H:18])[H:19])([C:4](=[O:5])[O:6][H:16])[N:7]([H:31])[H:32].[O:3]=[C:8]([C:9]([C:10]([C:11]([C:12]([C:13](=[O:14])[O:15][H:20])([H:21])[H:22])([H:23])[H:24])([H:25])[H:26])([H:27])[H:28])[H:29]