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([H])([H])C([H])([H])N([H])[H].[H][O:19][H:39]>>[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:39]
Derived Operators
EVODEX.1-F266 - Elemental Balance
| O | -2 |
| C | -6 |
| N | -2 |
| H | -14 |
EVODEX.1-M139 - Mass Difference
-146.10562000000002
EVODEX.1-E1006 - Reaction Operator E
[#7](-[#6](-[#6](-[#6](-[#6](-[#6@](-[#7](-[#6:8](=[#8:9])-[#6:10])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H].[#8:19](-[H:38])-[H]>>[#6:8](=[#8:9])(-[#6:10])-[#8:19]-[H:38]
EVODEX.1-C577 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:12])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#7](-[H])-[H].[H]-[#8:24]>>[#6:12]-[#8:24]
EVODEX.1-N733 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:12](-[#6:11])=[#8:13])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#7](-[H])-[H].[H]-[#8:24]-[H:61]>>[#6:11]-[#6:12](=[#8:13])-[#8:24]-[H:61]
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-R5502
[N:1]([C:2]([C: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:35])[H:36])([H:37])[H:38].[H][O:19][H:39]>>[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:39].[H][N:7]([C@@:6]([C:5]([C:4]([C:3]([C:2]([N:1]([H:37])[H:38])([H:35])[H:36])([H:33])[H:34])([H:31])[H:32])([H:29])[H:30])([C:16](=[O:17])[O:18][H:27])[H:28])[H:26]