SMIRKS
[H]OC(=O)C(C([H])([H])C([H])([H])[H])=[O:13].[H]N([H])[C@@:5]([H])([C:4]([C:2]([C:1]([H:33])([H:34])[H:35])([C:3]([H:23])([H:24])[H:25])[H:32])([H:30])[H:31])[C:7](=[O:8])[O:9][H:28]>>[C:1]([C:2]([C:3]([H:23])([H:24])[H:25])([C:4]([C:5]([C:7](=[O:8])[O:9][H:28])=[O:13])([H:30])[H:31])[H:32])([H:33])([H:34])[H:35]
Derived Operators
EVODEX.1-F167 - Elemental Balance
| O | -2 |
| C | -4 |
| N | -1 |
| H | -9 |
EVODEX.1-M260 - Mass Difference
-103.06337
EVODEX.1-E833 - Reaction Operator E
[#6](-[#6](-[#6](=[#8:4])-[#6](=[#8])-[#8]-[H])(-[H])-[H])(-[H])(-[H])-[H].[#7](-[#6@@:9](-[#6:10])(-[#6:12]=[#8:13])-[H])(-[H])-[H]>>[#8:4]=[#6:9](-[#6:10])-[#6:12]=[#8:13]
EVODEX.1-C450 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H])=[#8:4].[H]-[#7](-[H])-[#6@@:9]-[H]>>[#8:4]=[#6:9]
EVODEX.1-N547 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H])=[#8:4].[H]-[#7](-[H])-[#6@@:9](-[H])(-[#6:10])-[#6:12]>>[#8:4]=[#6:9](-[#6:10])-[#6:12]
EVODEX.1-Em14 - Reaction Operator Em
[#6](=[#8])-[#6](-[#6])=[#8:6].[H]-[#7](-[H])-[#6:11](-[H])(-[#6:12])-[#6:21]=[#8:22]>>[#8:6]=[#6:11](-[#6:12])-[#6:21]=[#8:22]
EVODEX.1-Nm12 - Reaction Operator Nm
[H]-[#7](-[H])-[#6:39](-[H])(-[#6:5])-[#6:37].[#6]-[#6](-[#6])=[#8:47]>>[#6:5]-[#6:39](-[#6:37])=[#8:47]
Source Full Reactions
EVODEX.1-R3679
[C:10]([C:11]([C:12](=[O:13])[C:14](=[O:15])[O:16][H:17])([H:18])[H:19])([H:20])([H:21])[H:22].[H][C@@:5]([C:4]([C:2]([C:1]([H:33])([H:34])[H:35])([C:3]([H:23])([H:24])[H:25])[H:32])([H:30])[H:31])([N:6]([H:26])[H:27])[C:7](=[O:8])[O:9][H:28]>>[C:1]([C:2]([C:3]([H:23])([H:24])[H:25])([C:4]([C:5]([C:7](=[O:8])[O:9][H:28])=[O:13])([H:30])[H:31])[H:32])([H:33])([H:34])[H:35].[H][C:12]([N:6]([H:26])[H:27])([C:11]([C:10]([H:20])([H:21])[H:22])([H:18])[H:19])[C:14](=[O:15])[O:16][H:17]