SMIRKS
[H]OC(=O)[C@@]([H])(N([H])[C:7](=[O:8])[C:9]([C:10]1:[C:11]([H:20]):[C:12]([H:21]):[C:13]([H:22]):[C:14]([H:23]):[C:15]:1[H:24])([H:25])[H:26])C([H])([H])C(=O)N([H])[H].[H][O:19][H:34]>>[C:7](=[O:8])([C:9]([C:10]1:[C:11]([H:20]):[C:12]([H:21]):[C:13]([H:22]):[C:14]([H:23]):[C:15]:1[H:24])([H:25])[H:26])[O:19][H:34]
Derived Operators
EVODEX.1-F436 - Elemental Balance
| O | -3 |
| C | -4 |
| N | -2 |
| H | -8 |
EVODEX.1-M79 - Mass Difference
-132.05354
EVODEX.1-E1244 - Reaction Operator E
[#7](-[#6](=[#8])-[#6](-[#6](-[#7](-[#6:7](=[#8:8])-[#6:9])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])-[H])(-[H])-[H].[#8:18](-[H:31])-[H]>>[#6:7](=[#8:8])(-[#6:9])-[#8:18]-[H:31]
EVODEX.1-C900 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:7])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[H].[H]-[#8:19]>>[#6:7]-[#8:19]
EVODEX.1-N1134 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:7](=[#8:8])-[#6:9])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[H].[H]-[#8:19]-[H:34]>>[#6:7](=[#8:8])(-[#6:9])-[#8:19]-[H:34]
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-R6210
[N:1]([C:2](=[O:3])[C:4]([C@:5]([N:6]([C:7](=[O:8])[C:9]([C:10]1:[C:11]([H:20]):[C:12]([H:21]):[C:13]([H:22]):[C:14]([H:23]):[C:15]:1[H:24])([H:25])[H:26])[H:27])([C:16](=[O:17])[O:18][H:28])[H:29])([H:30])[H:31])([H:32])[H:33].[H][O:19][H:34]>>[C:7](=[O:8])([C:9]([C:10]1:[C:11]([H:20]):[C:12]([H:21]):[C:13]([H:22]):[C:14]([H:23]):[C:15]:1[H:24])([H:25])[H:26])[O:19][H:34].[H][N:6]([C@@:5]([C:4]([C:2]([N:1]([H:32])[H:33])=[O:3])([H:30])[H:31])([C:16](=[O:17])[O:18][H:28])[H:29])[H:27]