SMIRKS
[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])C(=O)[N:7]([C:8]1:[C:9]([H:21]):[C:10]([H:22]):[C:11]([H:23]):[C:12]2:[C:13]([H:24]):[C:14]([H:25]):[C:15]([H:26]):[C:16]([H:27]):[C:17]:1:2)[H:28]>>[H][N:7]([C:8]1:[C:9]([H:21]):[C:10]([H:22]):[C:11]([H:23]):[C:12]2:[C:13]([H:24]):[C:14]([H:25]):[C:15]([H:26]):[C:16]([H:27]):[C:17]:1:2)[H:28]
Derived Operators
EVODEX.1-F221 - Elemental Balance
| O | -3 |
| C | -5 |
| N | -1 |
| H | -7 |
EVODEX.1-M73 - Mass Difference
-129.04261
EVODEX.1-E932 - Reaction Operator E
[#6:5]-[#7:6](-[#6](=[#8])-[#6](-[#6](-[#6@](-[#7](-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])-[H])(-[H])-[H])-[H:30]>>[#6:5]-[#7:6](-[H:30])-[H]
EVODEX.1-C368 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:7]>>[H]-[#7:7]
EVODEX.1-N426 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:7](-[#6:8])-[H:28]>>[H]-[#7:7](-[#6:8])-[H:28]
Source Full Reactions
EVODEX.1-R7110
[H][N:1]([C@@:2]([C:3]([C:4]([C:5](=[O:6])[N:7]([C:8]1:[C:9]([H:21]):[C:10]([H:22]):[C:11]([H:23]):[C:12]2:[C:13]([H:24]):[C:14]([H:25]):[C:15]([H:26]):[C:16]([H:27]):[C:17]:1:2)[H:28])([H:29])[H:30])([H:31])[H:32])([C:18](=[O:19])[O:20][H:33])[H:34])[H:35]>>[H][N:7]([C:8]1:[C:9]([H:21]):[C:10]([H:22]):[C:11]([H:23]):[C:12]2:[C:13]([H:24]):[C:14]([H:25]):[C:15]([H:26]):[C:16]([H:27]):[C:17]:1:2)[H:28].[N:1]1([H:35])[C@@:2]([C:18](=[O:19])[O:20][H:33])([H:34])[C:3]([H:31])([H:32])[C:4]([H:29])([H:30])[C:5]1=[O:6]