SMIRKS
[H]OC(=O)[C@@]([H])(N([H])[C:7]([C@:5]([C:4]([C:2]([C:1]([H:37])([H:38])[H:39])([C:3]([H:18])([H:19])[H:20])[H:36])([H:34])[H:35])([N:6]([H:21])[H:22])[H:33])=[O:8])C([H])(C([H])([H])[H])C([H])([H])[H]>>[H]O[C:7]([C@:5]([C:4]([C:2]([C:1]([H:37])([H:38])[H:39])([C:3]([H:18])([H:19])[H:20])[H:36])([H:34])[H:35])([N:6]([H:21])[H:22])[H:33])=[O:8]
Derived Operators
EVODEX.1-F257 - Elemental Balance
| O | -1 |
| C | -5 |
| N | -1 |
| H | -9 |
EVODEX.1-M179 - Mass Difference
-99.06847
EVODEX.1-E985 - Reaction Operator E
[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[#7](-[#6:6](=[#8:7])-[#6:8])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H])(-[H])(-[H])-[H]>>[#6:6](=[#8:7])(-[#6:8])-[#8]-[H]
EVODEX.1-C556 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:12])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H]>>[H]-[#8]-[#6:12]
EVODEX.1-N709 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:12](-[#6:11])=[#8:13])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H]>>[H]-[#8]-[#6:12](-[#6:11])=[#8:13]
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-R5422
[C:1]([C:2]([C:3]([H:18])([H:19])[H:20])([C:4]([C@:5]([N:6]([H:21])[H:22])([C:7](=[O:8])[N:9]([C@:10]([C:11](=[O:12])[O:13][H:23])([C:14]([C:15]([H:24])([H:25])[H:26])([C:16]([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:39].[H][O:17][H:40]>>[C:1]([C:2]([C:3]([H:18])([H:19])[H:20])([C:4]([C@:5]([N:6]([H:21])[H:22])([C:7](=[O:8])[O:17][H:40])[H:33])([H:34])[H:35])[H:36])([H:37])([H:38])[H:39].[H][N:9]([C@:10]([C:11](=[O:12])[O:13][H:23])([C:14]([C:15]([H:24])([H:25])[H:26])([C:16]([H:27])([H:28])[H:29])[H:30])[H:31])[H:32]