SMIRKS
[C:1]([C:2]([C:3]([H:18])([H:19])[H:20])([C:4](=[O:5])[C:6](=[O:7])[O:8][H:21])[H:22])([H:23])([H:24])[H:25]>>[H]N([H])[C@@:4]([H])([C:2]([C:1]([H:23])([H:24])[H:25])([C:3]([H:18])([H:19])[H:20])[H:22])[C:6](=[O:7])[O:8][H:21].[H]OC(=O)C(C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])=[O:5]
Derived Operators
EVODEX.1-F137 - Elemental Balance
| O | 2 |
| C | 6 |
| N | 1 |
| H | 13 |
EVODEX.1-M67 - Mass Difference
131.09469
EVODEX.1-E788 - Reaction Operator E
[#6:15]-[#6:16](=[#8:17])-[#6:18]=[#8:19]>>[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[#6](-[#6](=[#8])-[#8]-[H])=[#8:17])(-[H])-[H])-[H])(-[H])(-[H])-[H].[#7](-[#6:16](-[#6:15])(-[#6:18]=[#8:19])-[H])(-[H])-[H]
EVODEX.1-C452 - Reaction Operator C
[#6:15]=[#8:16]>>[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])=[#8:16].[H]-[#7](-[H])-[#6:15]-[H]
EVODEX.1-N549 - Reaction Operator N
[#6:14]-[#6:15](=[#8:16])-[#6:17]>>[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])=[#8:16].[H]-[#7](-[H])-[#6:15](-[H])(-[#6:14])-[#6:17]
EVODEX.1-Em18 - Reaction Operator Em
[#8:10]=[#6:11]-[#6:13](=[#8:14])-[#6:15]>>[#6](=[#8])-[#6](-[#6])=[#8:14].[H]-[#7](-[H])-[#6:13](-[H])(-[#6:11]=[#8:10])-[#6:15]
EVODEX.1-Nm14 - Reaction Operator Nm
[#6:11]-[#6:13](=[#8:14])-[#6:15]>>[#6]-[#6](-[#6])=[#8:14].[H]-[#7](-[H])-[#6:13](-[H])(-[#6:11])-[#6:15]
Source Full Reactions
EVODEX.1-R3692
[C:1]([C:2]([C:3]([H:18])([H:19])[H:20])([C:4](=[O:5])[C:6](=[O:7])[O:8][H:21])[H:22])([H:23])([H:24])[H:25].[H][C@@:13]([C:12]([C:10]([C:9]([H:36])([H:37])[H:38])([C:11]([H:26])([H:27])[H:28])[H:35])([H:33])[H:34])([N:14]([H:29])[H:30])[C:15](=[O:16])[O:17][H:31]>>[H][C@:4]([C:2]([C:1]([H:23])([H:24])[H:25])([C:3]([H:18])([H:19])[H:20])[H:22])([C:6](=[O:7])[O:8][H:21])[N:14]([H:29])[H:30].[O:5]=[C:13]([C:12]([C:10]([C:9]([H:36])([H:37])[H:38])([C:11]([H:26])([H:27])[H:28])[H:35])([H:33])[H:34])[C:15](=[O:16])[O:17][H:31]