SMIRKS
[H]OC(=O)[C@@]([H])(N([H])[C:8](=[O:9])[C@@:10]([N:11]([H:20])[H:21])([C:12]([C:13](=[O:14])[O:15][H:22])([H:23])[H:24])[H:25])C([H])([H])C([H])([H])C(=O)N([H])[H].[H][O:19][H:35]>>[C:8](=[O:9])([C@@:10]([N:11]([H:20])[H:21])([C:12]([C:13](=[O:14])[O:15][H:22])([H:23])[H:24])[H:25])[O:19][H:35]
Derived Operators
EVODEX.1-F376 - Elemental Balance
| O | -3 |
| C | -5 |
| N | -2 |
| H | -10 |
EVODEX.1-M153 - Mass Difference
-146.06920000000002
EVODEX.1-E1168 - Reaction Operator E
[#7](-[#6](=[#8])-[#6](-[#6](-[#6@](-[#7](-[#6:8](=[#8:9])-[#6:10])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H].[#8:23](-[H:40])-[H]>>[#6:8](=[#8:9])(-[#6:10])-[#8:23]-[H:40]
EVODEX.1-C902 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[H].[H]-[#8:23]>>[#6:8]-[#8:23]
EVODEX.1-N1136 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:8](=[#8:9])-[#6:10])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[H].[H]-[#8:23]-[H:40]>>[#6:8](=[#8:9])(-[#6:10])-[#8:23]-[H:40]
EVODEX.1-Em2 - Reaction Operator Em
[H]-[#7](-[#6])-[#6:4](-[#6:3])=[#8:5].[H]-[#8:13]>>[#6:3]-[#6:4](=[#8:5])-[#8:13]
EVODEX.1-Nm2 - Reaction Operator Nm
[H]-[#7](-[#6])-[#6:4](-[#6:3])=[#8:5].[H]-[#8:13]>>[#6:3]-[#6:4](=[#8:5])-[#8:13]
Source Full Reactions
EVODEX.1-R5429
[N:1]([C:2](=[O:3])[C:4]([C:5]([C@:6]([N:7]([C:8](=[O:9])[C@@:10]([N:11]([H:20])[H:21])([C:12]([C:13](=[O:14])[O:15][H:22])([H:23])[H:24])[H:25])[H:26])([C:16](=[O:17])[O:18][H:27])[H:28])([H:29])[H:30])([H:31])[H:32])([H:33])[H:34].[H][O:19][H:35]>>[C:8](=[O:9])([C@@:10]([N:11]([H:20])[H:21])([C:12]([C:13](=[O:14])[O:15][H:22])([H:23])[H:24])[H:25])[O:19][H:35].[H][N:7]([C@@:6]([C:5]([C:4]([C:2]([N:1]([H:33])[H:34])=[O:3])([H:31])[H:32])([H:29])[H:30])([C:16](=[O:17])[O:18][H:27])[H:28])[H:26]