SMIRKS
[C:1]([C:2]([C:3]([H:19])([H:20])[H:21])([C:4]([C:5](=[O:6])[C:7](=[O:8])[O:9][H:22])([H:23])[H:24])[H:25])([H:26])([H:27])[H:28]>>[H]N([H])[C@@:5]([H])([C:4]([C:2]([C:1]([H:26])([H:27])[H:28])([C:3]([H:19])([H:20])[H:21])[H:25])([H:23])[H:24])[C:7](=[O:8])[O:9][H:22].[H]OC(=O)C(C([H])([H])C(=O)O[H])=[O:6]
Derived Operators
EVODEX.1-F189 - Elemental Balance
| C | 4 |
| O | 4 |
| N | 1 |
| H | 7 |
EVODEX.1-M558 - Mass Difference
133.03751
EVODEX.1-E885 - Reaction Operator E
[#6:15]-[#6:16](=[#8:17])-[#6:18]=[#8:19]>>[#6](-[#6](-[#6](=[#8])-[#8]-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])=[#8:17].[#7](-[#6:16](-[#6:15])(-[#6:18]=[#8:19])-[H])(-[H])-[H]
EVODEX.1-C426 - Reaction Operator C
[#6:16]=[#8:17]>>[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[#6](=[#8])-[#8]-[H])=[#8:17].[H]-[#7](-[H])-[#6:16]-[H]
EVODEX.1-N508 - Reaction Operator N
[#6:15]-[#6:16](=[#8:17])-[#6:18]>>[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[#6](=[#8])-[#8]-[H])=[#8:17].[H]-[#7](-[H])-[#6:16](-[H])(-[#6:15])-[#6:18]
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-R3509
[C:1]([C:2]([C:3]([H:19])([H:20])[H:21])([C:4]([C:5](=[O:6])[C:7](=[O:8])[O:9][H:22])([H:23])[H:24])[H:25])([H:26])([H:27])[H:28].[H][C@:11]([N:10]([H:34])[H:35])([C:12]([C:13](=[O:14])[O:15][H:29])([H:30])[H:31])[C:16](=[O:17])[O:18][H:32]>>[H][C@:5]([C:4]([C:2]([C:1]([H:26])([H:27])[H:28])([C:3]([H:19])([H:20])[H:21])[H:25])([H:23])[H:24])([C:7](=[O:8])[O:9][H:22])[N:10]([H:34])[H:35].[O:6]=[C:11]([C:12]([C:13](=[O:14])[O:15][H:29])([H:30])[H:31])[C:16](=[O:17])[O:18][H:32]