SMIRKS
[H]OC(=O)[C@]([H])(N([H])[C:3]([C:2]([C:1]([H:29])([H:30])[H:31])([H:27])[H:28])=[O:4])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H].[H][O:14][H:32]>>[C:1]([C:2]([C:3](=[O:4])[O:14][H:32])([H:27])[H:28])([H:29])([H:30])[H:31]
Derived Operators
EVODEX.1-F265 - Elemental Balance
| O | -2 |
| C | -6 |
| N | -1 |
| H | -13 |
EVODEX.1-M88 - Mass Difference
-131.09469
EVODEX.1-E1002 - Reaction Operator E
[#6:2]-[#6:3](=[#8:4])-[#7](-[#6@](-[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H].[#8:14](-[H:32])-[H]>>[#6:2]-[#6:3](=[#8:4])-[#8:14]-[H:32]
EVODEX.1-C553 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@](-[H])(-[#7](-[H])-[#6:3])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H].[H]-[#8:14]>>[#6:3]-[#8:14]
EVODEX.1-N706 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@](-[H])(-[#7](-[H])-[#6:3](-[#6:2])=[#8:4])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H].[H]-[#8:14]-[H:32]>>[#6:2]-[#6:3](=[#8:4])-[#8:14]-[H:32]
EVODEX.1-Em2 - Reaction Operator Em
[H]-[#7](-[#6])-[#6:4](-[#6:3])=[#8:5].[H]-[#8:13]>>[#6:3]-[#6:4](=[#8:5])-[#8:13]
EVODEX.1-Nm2 - Reaction Operator Nm
[H]-[#7](-[#6])-[#6:4](-[#6:3])=[#8:5].[H]-[#8:13]>>[#6:3]-[#6:4](=[#8:5])-[#8:13]
Source Full Reactions
EVODEX.1-R6480
[C:1]([C:2]([C:3](=[O:4])[N:5]([C@:6]([C:7]([C:8]([C:9]([H:15])([H:16])[H:17])([C:10]([H:18])([H:19])[H:20])[H:21])([H:22])[H:23])([C:11](=[O:12])[O:13][H:24])[H:25])[H:26])([H:27])[H:28])([H:29])([H:30])[H:31].[H][O:14][H:32]>>[C:1]([C:2]([C:3](=[O:4])[O:14][H:32])([H:27])[H:28])([H:29])([H:30])[H:31].[H][N:5]([C@:6]([C:7]([C:8]([C:9]([H:15])([H:16])[H:17])([C:10]([H:18])([H:19])[H:20])[H:21])([H:22])[H:23])([C:11](=[O:12])[O:13][H:24])[H:25])[H:26]