SMIRKS
[H]OC(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])[C:7](=[O:8])[C@@:9]([N:10]([H:27])[H:28])([C:11]([C:12]([C:13]([H:29])([H:30])[H:31])([C:14]([H:32])([H:33])[H:34])[H:35])([H:36])[H:37])[H:38])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]>>[H]O[C:7](=[O:8])[C@@:9]([N:10]([H:27])[H:28])([C:11]([C:12]([C:13]([H:29])([H:30])[H:31])([C:14]([H:32])([H:33])[H:34])[H:35])([H:36])[H:37])[H:38]
Derived Operators
EVODEX.1-F487 - Elemental Balance
| O | -2 |
| C | -9 |
| N | -2 |
| H | -16 |
EVODEX.1-M167 - Mass Difference
-184.12128
EVODEX.1-E1304 - Reaction Operator E
[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[#6@](-[#7](-[#6:7](=[#8:8])-[#6:9])-[H])(-[#6](=[#8])-[#7](-[#6@@](-[#6](-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H])-[H])(-[H])-[H])-[H])(-[H])(-[H])-[H]>>[#6:7](=[#8:8])(-[#6:9])-[#8]-[H]
EVODEX.1-C585 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:7])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H]>>[H]-[#8]-[#6:7]
EVODEX.1-N741 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:7](=[#8:8])-[#6@:9])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[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-R5553
[C:1]([C:2]([C:3]([H:24])([H:25])[H:26])([C:4]([C@:5]([N:6]([C:7](=[O:8])[C@@:9]([N:10]([H:27])[H:28])([C:11]([C:12]([C:13]([H:29])([H:30])[H:31])([C:14]([H:32])([H:33])[H:34])[H:35])([H:36])[H:37])[H:38])[H:39])([C:15](=[O:16])[N:17]([C@@:18]([C:19]([H:40])([H:41])[H:42])([C:20](=[O:21])[O:22][H:43])[H:44])[H:45])[H:46])([H:47])[H:48])[H:49])([H:50])([H:51])[H:52].[H][O:23][H:53]>>[C:7](=[O:8])([C@@:9]([N:10]([H:27])[H:28])([C:11]([C:12]([C:13]([H:29])([H:30])[H:31])([C:14]([H:32])([H:33])[H:34])[H:35])([H:36])[H:37])[H:38])[O:23][H:53].[H][N:6]([C@@:5]([C:4]([C:2]([C:1]([H:50])([H:51])[H:52])([C:3]([H:24])([H:25])[H:26])[H:49])([H:47])[H:48])([C:15](=[O:16])[N:17]([C@@:18]([C:19]([H:40])([H:41])[H:42])([C:20](=[O:21])[O:22][H:43])[H:44])[H:45])[H:46])[H:39]