SMIRKS
[C:1]([C:2]([C:3]([C:4]([C:5]([C:6](=[O:7])[H:13])([H:14])[H:15])([H:16])[H:17])([H:18])[H:19])([H:20])[H:21])([H:22])([H:23])[H:24]>>[H]OC(=O)[C@]([H])(N([H])[H])[C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:22])([H:23])[H:24])([H:20])[H:21])([H:18])[H:19])([H:16])[H:17])([H:14])[H:15])([O:7][H])[H:13]
Derived Operators
EVODEX.1-F268 - Elemental Balance
| O | 2 |
| C | 2 |
| N | 1 |
| H | 5 |
EVODEX.1-M50 - Mass Difference
75.03205000000001
EVODEX.1-E1011 - Reaction Operator E
[#8:6]=[#6:7](-[#6:8])-[H:26]>>[#7](-[#6@](-[#6](=[#8])-[#8]-[H])(-[#6@@:7](-[#8:6]-[H])(-[#6:8])-[H:26])-[H])(-[H])-[H]
EVODEX.1-C927 - Reaction Operator C
[#8:6]=[#6:7]>>[H]-[#8]-[#6](=[#8])-[#6@](-[H])(-[#7](-[H])-[H])-[#6@@:7]-[#8:6]-[H]
EVODEX.1-N1159 - Reaction Operator N
[#8:6]=[#6:7](-[#6:8])-[H:23]>>[H]-[#8]-[#6](=[#8])-[#6@](-[H])(-[#7](-[H])-[H])-[#6@@:7](-[#8:6]-[H])(-[#6:8])-[H:23]
EVODEX.1-Em744 - Reaction Operator Em
[#6:2]-[#6:3]=[#8:4]>>[#6]-[#6](-[H])(-[#7])-[#6:3](-[#6:2])-[#8:4]-[H]
EVODEX.1-Nm673 - Reaction Operator Nm
[#6:2]-[#6:3]=[#8:4]>>[#6]-[#6](-[H])(-[#7])-[#6:3](-[#6:2])-[#8:4]-[H]
Source Full Reactions
EVODEX.1-R6897
[C:1]([C:2]([C:3]([C:4]([C:5]([C:6](=[O:7])[H:13])([H:14])[H:15])([H:16])[H:17])([H:18])[H:19])([H:20])[H:21])([H:22])([H:23])[H:24].[H][C:9]([N:8]([H:28])[H:29])([C:10](=[O:11])[O:12][H:25])[H:26]>>[H][O:7][C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:22])([H:23])[H:24])([H:20])[H:21])([H:18])[H:19])([H:16])[H:17])([H:14])[H:15])([C@@:9]([N:8]([H:28])[H:29])([C:10](=[O:11])[O:12][H:25])[H:26])[H:13]