SMIRKS
[H]OC(=O)C([H])([H])N([H])[C:8]([C@:6]([C:5]([C:4]([C:3]([C:2]([N:1]([H:31])[H:32])([H:29])[H:30])([H:27])[H:28])([H:25])[H:26])([H:23])[H:24])([N:7]([H:16])[H:17])[H:22])=[O:9].[H][O:15][H:33]>>[N:1]([C:2]([C:3]([C:4]([C:5]([C@:6]([N:7]([H:16])[H:17])([C:8](=[O:9])[O:15][H:33])[H:22])([H:23])[H:24])([H:25])[H:26])([H:27])[H:28])([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-E990 - Reaction Operator E
[#6:7]-[#6:8](=[#8:9])-[#7](-[#6](-[#6](=[#8])-[#8]-[H])(-[H])-[H])-[H].[#8:1](-[H:26])-[H]>>[#8:1](-[#6:8](-[#6:7])=[#8:9])-[H:26]
EVODEX.1-C544 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6:29].[H]-[#8:36]>>[#6:29]-[#8:36]
EVODEX.1-N695 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6:29](-[#6:2])=[#8:30].[H]-[#8:36]-[H:86]>>[#6:2]-[#6:29](=[#8:30])-[#8:36]-[H:86]
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-R5434
[N:1]([C:2]([C:3]([C:4]([C:5]([C@:6]([N:7]([H:16])[H:17])([C:8](=[O:9])[N:10]([C:11]([C:12](=[O:13])[O:14][H:18])([H:19])[H:20])[H:21])[H:22])([H:23])[H:24])([H:25])[H:26])([H:27])[H:28])([H:29])[H:30])([H:31])[H:32].[H][O:15][H:33]>>[H][N:10]([C:11]([C:12](=[O:13])[O:14][H:18])([H:19])[H:20])[H:21].[N:1]([C:2]([C:3]([C:4]([C:5]([C@:6]([N:7]([H:16])[H:17])([C:8](=[O:9])[O:15][H:33])[H:22])([H:23])[H:24])([H:25])[H:26])([H:27])[H:28])([H:29])[H:30])([H:31])[H:32]