SMIRKS
[H]OC(=O)C([C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])=[O:15].[H]N([H])[C@@:5]([H])([C:4]([C:2]([C:1]([H:39])([H:40])[H:41])([C:3]([H:29])([H:30])[H:31])[H:38])([H:36])[H:37])[C:7](=[O:8])[O:9][H:34]>>[C:1]([C:2]([C:3]([H:29])([H:30])[H:31])([C:4]([C:5]([C:7](=[O:8])[O:9][H:34])=[O:15])([H:36])[H:37])[H:38])([H:39])([H:40])[H:41]
Derived Operators
EVODEX.1-F276 - Elemental Balance
| C | -6 |
| N | -1 |
| O | -2 |
| H | -13 |
EVODEX.1-M182 - Mass Difference
-131.09469
EVODEX.1-E1005 - Reaction Operator E
[#6](-[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[#6](=[#8:6])-[#6](=[#8])-[#8]-[H])-[H])(-[H])-[H])(-[H])(-[H])-[H].[#6:19]-[#6@:20](-[#7](-[H])-[H])(-[#6:22]=[#8:23])-[H]>>[#8:6]=[#6:20](-[#6:19])-[#6:22]=[#8:23]
EVODEX.1-C458 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H])=[#8:6].[H]-[#7](-[H])-[#6@@:20]-[H]>>[#8:6]=[#6:20]
EVODEX.1-N556 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H])=[#8:6].[H]-[#7](-[H])-[#6@@:20](-[H])(-[#6:19])-[#6:22]>>[#8:6]=[#6:20](-[#6:19])-[#6:22]
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-R3689
[C:10]([C:11]([C@:12]([C:13]([H:19])([H:20])[H:21])([C:14](=[O:15])[C:16](=[O:17])[O:18][H:22])[H:23])([H:24])[H:25])([H:26])([H:27])[H:28].[H][C@@:5]([C:4]([C:2]([C:1]([H:39])([H:40])[H:41])([C:3]([H:29])([H:30])[H:31])[H:38])([H:36])[H:37])([N:6]([H:32])[H:33])[C:7](=[O:8])[O:9][H:34]>>[C:1]([C:2]([C:3]([H:29])([H:30])[H:31])([C:4]([C:5]([C:7](=[O:8])[O:9][H:34])=[O:15])([H:36])[H:37])[H:38])([H:39])([H:40])[H:41].[H][C@:14]([N:6]([H:32])[H:33])([C@:12]([C:11]([C:10]([H:26])([H:27])[H:28])([H:24])[H:25])([C:13]([H:19])([H:20])[H:21])[H:23])[C:16](=[O:17])[O:18][H:22]