SMIRKS
[H]OC(=O)[C@@]([H])(N([H])[H])[C:10]([C:8]([C:7]1:[C:2]([N:1]([H:31])[H:32]):[C:3]([H:21]):[C:4]([H:22]):[C:5]([H:23]):[C:6]:1[H:24])=[O:9])([H:29])[H:30].[H][C:17](=[O:16])[C:18](=[O:19])[O:20][H:33]>>[N:1]([C:2]1:[C:3]([H:21]):[C:4]([H:22]):[C:5]([H:23]):[C:6]([H:24]):[C:7]:1[C:8](=[O:9])[C:10]([C:17](=[O:16])[C:18](=[O:19])[O:20][H:33])([H:29])[H:30])([H:31])[H:32]
Derived Operators
EVODEX.1-F261 - Elemental Balance
| O | -2 |
| C | -2 |
| N | -1 |
| H | -5 |
EVODEX.1-M90 - Mass Difference
-75.03205000000001
EVODEX.1-E991 - Reaction Operator E
[#6:5]-[#6:6](-[#6@](-[#7](-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H:21])-[H:22].[#8:12]=[#6:13](-[#6:14]=[#8:15])-[H]>>[#6:5]-[#6:6](-[#6:13](=[#8:12])-[#6:14]=[#8:15])(-[H:21])-[H:22]
EVODEX.1-C438 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6:10].[H]-[#6:17]>>[#6:10]-[#6:17]
EVODEX.1-N530 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6:10](-[#6:8])(-[H:29])-[H:30].[H]-[#6:17](=[#8:16])-[#6:18]>>[#6:8]-[#6:10](-[#6:17](=[#8:16])-[#6:18])(-[H:29])-[H:30]
EVODEX.1-Em540 - Reaction Operator Em
[#6]-[#6](-[H])(-[#7])-[#6:10]-[#6:8].[H]-[#6:17](=[#8:16])-[#6:18]=[#8:19]>>[#6:8]-[#6:10]-[#6:17](=[#8:16])-[#6:18]=[#8:19]
EVODEX.1-Nm489 - Reaction Operator Nm
[#6]-[#6](-[H])(-[#7])-[#6:10]-[#6:8].[H]-[#6:17](=[#8:16])-[#6:18]>>[#6:8]-[#6:10]-[#6:17](=[#8:16])-[#6:18]
Source Full Reactions
EVODEX.1-R3765
[N:1]([C:2]1:[C:3]([H:21]):[C:4]([H:22]):[C:5]([H:23]):[C:6]([H:24]):[C:7]:1[C:8](=[O:9])[C:10]([C@:11]([N:12]([H:25])[H:26])([C:13](=[O:14])[O:15][H:27])[H:28])([H:29])[H:30])([H:31])[H:32].[H][C:17](=[O:16])[C:18](=[O:19])[O:20][H:33]>>[H][C:11]([N:12]([H:25])[H:26])([C:13](=[O:14])[O:15][H:27])[H:28].[N:1]([C:2]1:[C:3]([H:21]):[C:4]([H:22]):[C:5]([H:23]):[C:6]([H:24]):[C:7]:1[C:8](=[O:9])[C:10]([C:17](=[O:16])[C:18](=[O:19])[O:20][H:33])([H:29])[H:30])([H:31])[H:32]