SMIRKS
[H]OC(=O)[C@@]([H])(C([H])(C([H])([H])[H])C([H])([H])[H])[N:5]([H:23])[H:24].O=[C:15]([C:14]([C:13]([C:12]([C:10](=[O:9])[O:11][H:31])([H:37])[H:38])([H:35])[H:36])([H:33])[H:34])[C:17](=[O:18])[O:19][H:32]>>[H][C:15]([N:5]([H:23])[H:24])([C:14]([C:13]([C:12]([C:10](=[O:9])[O:11][H:31])([H:37])[H:38])([H:35])[H:36])([H:33])[H:34])[C:17](=[O:18])[O:19][H:32]
Derived Operators
EVODEX.1-F99 - Elemental Balance
| C | -5 |
| O | -3 |
| H | -8 |
EVODEX.1-M229 - Mass Difference
-116.04734
EVODEX.1-E684 - Reaction Operator E
[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[#6@@](-[#7:5](-[H:23])-[H:24])(-[#6](=[#8])-[#8]-[H])-[H])-[H])(-[H])(-[H])-[H].[#6:14]-[#6:15](=[#8])-[#6:17]=[#8:18]>>[#7:5](-[#6:15](-[#6:14])(-[#6:17]=[#8:18])-[H])(-[H:23])-[H:24]
EVODEX.1-C444 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#7:5].[#8]=[#6:15]>>[H]-[#6:15]-[#7:5]
EVODEX.1-N541 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#7:5](-[H:23])-[H:24].[#8]=[#6:15](-[#6:14])-[#6:17]>>[H]-[#6:15](-[#7:5](-[H:23])-[H:24])(-[#6:14])-[#6:17]
EVODEX.1-Em19 - Reaction Operator Em
[#6]-[#6](-[H])(-[#6])-[#7:5].[#8]=[#6:15](-[#6:14])-[#6:17]=[#8:18]>>[H]-[#6:15](-[#7:5])(-[#6:14])-[#6:17]=[#8:18]
EVODEX.1-Nm15 - Reaction Operator Nm
[#6]-[#6](-[H])(-[#6])-[#7:5].[#8]=[#6:15](-[#6:14])-[#6:17]>>[H]-[#6:15](-[#7:5])(-[#6:14])-[#6:17]
Source Full Reactions
EVODEX.1-R3845
[H][C@:4]([C:2]([C:1]([H:28])([H:29])[H:30])([C:3]([H:20])([H:21])[H:22])[H:27])([N:5]([H:23])[H:24])[C:6](=[O:7])[O:8][H:25].[O:9]=[C:10]([O:11][H:31])[C:12]([C:13]([C:14]([C:15](=[O:16])[C:17](=[O:18])[O:19][H:32])([H:33])[H:34])([H:35])[H:36])([H:37])[H:38]>>[C:1]([C:2]([C:3]([H:20])([H:21])[H:22])([C:4]([C:6](=[O:7])[O:8][H:25])=[O:16])[H:27])([H:28])([H:29])[H:30].[H][C:15]([N:5]([H:23])[H:24])([C:14]([C:13]([C:12]([C:10](=[O:9])[O:11][H:31])([H:37])[H:38])([H:35])[H:36])([H:33])[H:34])[C:17](=[O:18])[O:19][H:32]