SMIRKS
[H]OC(=O)[C@@]([H])(N([H])[C:7]([C@:5]([C@:3]([C:2]([C:1]([H:31])([H:32])[H:33])([H:29])[H:30])([C:4]([H:16])([H:17])[H:18])[H:28])([N:6]([H:19])[H:20])[H:27])=[O:8])C([H])([H])[H].[H][O:15][H:34]>>[C:1]([C:2]([C@:3]([C:4]([H:16])([H:17])[H:18])([C@:5]([N:6]([H:19])[H:20])([C:7](=[O:8])[O:15][H:34])[H:27])[H:28])([H:29])[H:30])([H:31])([H:32])[H:33]
Derived Operators
EVODEX.1-F263 - Elemental Balance
| O | -2 |
| C | -3 |
| N | -1 |
| H | -7 |
EVODEX.1-M49 - Mass Difference
-89.04771000000001
EVODEX.1-E996 - Reaction Operator E
[#6](-[#6@](-[#7](-[#6:4](=[#8:5])-[#6:6])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])(-[H])-[H].[#8:15](-[H:29])-[H]>>[#6:4](=[#8:5])(-[#6:6])-[#8:15]-[H:29]
EVODEX.1-C617 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:10])-[#6](-[H])(-[H])-[H].[H]-[#8:18]>>[#6:10]-[#8:18]
EVODEX.1-N772 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:10](-[#6@:5])=[#8:11])-[#6](-[H])(-[H])-[H].[H]-[#8:18]-[H:37]>>[#6:10](-[#6@:5])(=[#8:11])-[#8:18]-[H:37]
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-R5723
[C:1]([C:2]([C@:3]([C:4]([H:16])([H:17])[H:18])([C@:5]([N:6]([H:19])[H:20])([C:7](=[O:8])[N:9]([C@@:10]([C:11]([H:21])([H:22])[H:23])([C:12](=[O:13])[O:14][H:24])[H:25])[H:26])[H:27])[H:28])([H:29])[H:30])([H:31])([H:32])[H:33].[H][O:15][H:34]>>[C:1]([C:2]([C@:3]([C:4]([H:16])([H:17])[H:18])([C@:5]([N:6]([H:19])[H:20])([C:7](=[O:8])[O:15][H:34])[H:27])[H:28])([H:29])[H:30])([H:31])([H:32])[H:33].[H][N:9]([C@@:10]([C:11]([H:21])([H:22])[H:23])([C:12](=[O:13])[O:14][H:24])[H:25])[H:26]