SMIRKS
[C:1]([C@:2]([C:3](=[O:4])[H:21])([N:5]([C:6](=[O:7])[O:8][C:9]([C:10]1:[C:11]([H:22]):[C:12]([H:23]):[C:13]([H:24]):[C:14]([H:25]):[C:15]:1[H:26])([H:27])[H:28])[H:29])[H:30])([H:31])([H:32])[H:33]>>[H]OC(=O)[C@@]([H])(N([H])[H])[C@@:3]([C@@:2]([C:1]([H:31])([H:32])[H:33])([N:5]([C:6](=[O:7])[O:8][C:9]([C:10]1:[C:11]([H:22]):[C:12]([H:23]):[C:13]([H:24]):[C:14]([H:25]):[C:15]:1[H:26])([H:27])[H:28])[H:29])[H:30])([O:4][H])[H:21]
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-C1448 - Reaction Operator C
[#6:3](-[#6@:2])=[#8:4]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6@@:3](-[#6@@:2])-[#8:4]-[H]
EVODEX.1-N1856 - Reaction Operator N
[#6:1]-[#6@:2](-[#6:3](=[#8:4])-[H:21])(-[#7:5])-[H:30]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6@@:3](-[#6@@:2](-[#6:1])(-[#7:5])-[H:30])(-[#8:4]-[H])-[H:21]
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-R6952
[C:1]([C@:2]([C:3](=[O:4])[H:21])([N:5]([C:6](=[O:7])[O:8][C:9]([C:10]1:[C:11]([H:22]):[C:12]([H:23]):[C:13]([H:24]):[C:14]([H:25]):[C:15]:1[H:26])([H:27])[H:28])[H:29])[H:30])([H:31])([H:32])[H:33].[H][C:17]([N:16]([H:37])[H:38])([C:18](=[O:19])[O:20][H:34])[H:35]>>[H][O:4][C@:3]([C@@:2]([C:1]([H:31])([H:32])[H:33])([N:5]([C:6](=[O:7])[O:8][C:9]([C:10]1:[C:11]([H:22]):[C:12]([H:23]):[C:13]([H:24]):[C:14]([H:25]):[C:15]:1[H:26])([H:27])[H:28])[H:29])[H:30])([C@:17]([N:16]([H:37])[H:38])([C:18](=[O:19])[O:20][H:34])[H:35])[H:21]