SMIRKS
[H]OC(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])[C:7](=[O:8])[C@:9]([C:10]([C:11]1:[C:12]([H:34]):[C:13]([H:35]):[C:14]([H:36]):[C:15]([H:37]):[C:16]:1[H:38])([H:39])[H:40])([N:17]([C:18](=[O:19])[C:20]([N:21]([H:41])[H:42])([H:43])[H:44])[H:45])[H:46])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]([C:10]([C:11]1:[C:12]([H:34]):[C:13]([H:35]):[C:14]([H:36]):[C:15]([H:37]):[C:16]:1[H:38])([H:39])[H:40])([N:17]([C:18](=[O:19])[C:20]([N:21]([H:41])[H:42])([H:43])[H:44])[H:45])[H:46]
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-R6103
[C:1]([C:2]([C:3]([H:31])([H:32])[H:33])([C:4]([C@:5]([N:6]([C:7](=[O:8])[C@:9]([C:10]([C:11]1:[C:12]([H:34]):[C:13]([H:35]):[C:14]([H:36]):[C:15]([H:37]):[C:16]:1[H:38])([H:39])[H:40])([N:17]([C:18](=[O:19])[C:20]([N:21]([H:41])[H:42])([H:43])[H:44])[H:45])[H:46])[H:47])([C:22](=[O:23])[N:24]([C@@:25]([C:26]([H:48])([H:49])[H:50])([C:27](=[O:28])[O:29][H:51])[H:52])[H:53])[H:54])([H:55])[H:56])[H:57])([H:58])([H:59])[H:60].[H][O:30][H:61]>>[C:7](=[O:8])([C@:9]([C:10]([C:11]1:[C:12]([H:34]):[C:13]([H:35]):[C:14]([H:36]):[C:15]([H:37]):[C:16]:1[H:38])([H:39])[H:40])([N:17]([C:18](=[O:19])[C:20]([N:21]([H:41])[H:42])([H:43])[H:44])[H:45])[H:46])[O:30][H:61].[H][N:6]([C@@:5]([C:4]([C:2]([C:1]([H:58])([H:59])[H:60])([C:3]([H:31])([H:32])[H:33])[H:57])([H:55])[H:56])([C:22](=[O:23])[N:24]([C@@:25]([C:26]([H:48])([H:49])[H:50])([C:27](=[O:28])[O:29][H:51])[H:52])[H:53])[H:54])[H:47]