SMIRKS
[H]OC(=O)[C@@]([H])(N([H])[C:7]([C@:5]([C:4]([C:2]([C:1]([H:35])([H:36])[H:37])([C:3]([H:19])([H:20])[H:21])[H:34])([H:32])[H:33])([N:6]([H:22])[H:23])[H:31])=[O:8])C([H])([H])C(=O)N([H])[H]>>[H]O[C:7]([C@:5]([C:4]([C:2]([C:1]([H:35])([H:36])[H:37])([C:3]([H:19])([H:20])[H:21])[H:34])([H:32])[H:33])([N:6]([H:22])[H:23])[H:31])=[O:8]
Derived Operators
EVODEX.1-F177 - Elemental Balance
| O | -2 |
| C | -4 |
| N | -2 |
| H | -6 |
EVODEX.1-M121 - Mass Difference
-114.04298
EVODEX.1-E862 - Reaction Operator E
[#7](-[#6](=[#8])-[#6](-[#6](-[#7](-[#6:7](=[#8:8])-[#6:9])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])-[H])(-[H])-[H]>>[#6:7](=[#8:8])(-[#6:9])-[#8]-[H]
EVODEX.1-C551 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:7])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[H]>>[H]-[#8]-[#6:7]
EVODEX.1-N703 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:7](=[#8:8])-[#6:9])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[H]>>[H]-[#8]-[#6:7](=[#8:8])-[#6:9]
EVODEX.1-Em3 - Reaction Operator Em
[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43]>>[H]-[#8]-[#6:42](-[#6:40])=[#8:43]
EVODEX.1-Nm3 - Reaction Operator Nm
[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43]>>[H]-[#8]-[#6:42](-[#6:40])=[#8:43]
Source Full Reactions
EVODEX.1-R5413
[C:1]([C:2]([C:3]([H:19])([H:20])[H:21])([C:4]([C@:5]([N:6]([H:22])[H:23])([C:7](=[O:8])[N:9]([C@@:10]([C:11]([C:12]([N:13]([H:24])[H:25])=[O:14])([H:26])[H:27])([C:15](=[O:16])[O:17][H:28])[H:29])[H:30])[H:31])([H:32])[H:33])[H:34])([H:35])([H:36])[H:37].[H][O:18][H:38]>>[C:1]([C:2]([C:3]([H:19])([H:20])[H:21])([C:4]([C@:5]([N:6]([H:22])[H:23])([C:7](=[O:8])[O:18][H:38])[H:31])([H:32])[H:33])[H:34])([H:35])([H:36])[H:37].[H][N:9]([C@@:10]([C:11]([C:12]([N:13]([H:24])[H:25])=[O:14])([H:26])[H:27])([C:15](=[O:16])[O:17][H:28])[H:29])[H:30]