SMIRKS
[C:1]([C:2]([C:3]([H:15])([H:16])[H:17])([C:4]([C:5](=[O:6])[C:7](=[O:8])[O:9][H:18])([H:19])[H:20])[H:21])([H:22])([H:23])[H:24]>>[H]OC(=O)[C@@]([H])(N([H])[H])[C:4]([C:2]([C:1]([H:22])([H:23])[H:24])([C:3]([H:15])([H:16])[H:17])[H:21])([H:19])[H:20].[H][C:5](=[O:6])[C:7](=[O:8])[O:9][H:18]
Derived Operators
EVODEX.1-F268 - Elemental Balance
| O | 2 |
| C | 2 |
| N | 1 |
| H | 5 |
EVODEX.1-M50 - Mass Difference
75.03205000000001
EVODEX.1-E1014 - Reaction Operator E
[#8:6]=[#6:7]-[#6:9](=[#8:10])-[#6:11](-[#6:12])(-[H:30])-[H:31]>>[#7](-[#6@](-[#6](=[#8])-[#8]-[H])(-[#6:11](-[#6:12])(-[H:30])-[H:31])-[H])(-[H])-[H].[#8:6]=[#6:7]-[#6:9](=[#8:10])-[H]
EVODEX.1-C459 - Reaction Operator C
[#6:6]-[#6:7]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6:6].[H]-[#6:7]
EVODEX.1-N557 - Reaction Operator N
[#6:5]-[#6:6](-[#6:7](=[#8:8])-[#6:9])(-[H:18])-[H:19]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6:6](-[#6:5])(-[H:18])-[H:19].[H]-[#6:7](=[#8:8])-[#6:9]
EVODEX.1-Em548 - Reaction Operator Em
[#6:5]-[#6:6]-[#6:7](=[#8:8])-[#6:9]=[#8:10]>>[#6]-[#6](-[H])(-[#7])-[#6:6]-[#6:5].[H]-[#6:7](=[#8:8])-[#6:9]=[#8:10]
EVODEX.1-Nm495 - Reaction Operator Nm
[#6:5]-[#6:6]-[#6:7](=[#8:8])-[#6:9]>>[#6]-[#6](-[H])(-[#7])-[#6:6]-[#6:5].[H]-[#6:7](=[#8:8])-[#6:9]
Source Full Reactions
EVODEX.1-R3681
[C:1]([C:2]([C:3]([H:15])([H:16])[H:17])([C:4]([C:5](=[O:6])[C:7](=[O:8])[O:9][H:18])([H:19])[H:20])[H:21])([H:22])([H:23])[H:24].[H][C:11]([N:10]([H:28])[H:29])([C:12](=[O:13])[O:14][H:25])[H:26]>>[C:1]([C:2]([C:3]([H:15])([H:16])[H:17])([C:4]([C@:11]([N:10]([H:28])[H:29])([C:12](=[O:13])[O:14][H:25])[H:26])([H:19])[H:20])[H:21])([H:22])([H:23])[H:24].[H][C:5](=[O:6])[C:7](=[O:8])[O:9][H:18]