SMIRKS
[H]OC([H])([H])C(=O)C([H])(O[H])[C:17]([C:5]([C@:3]([C:2]([C:1]([H:47])([H:48])[H:49])([H:45])[H:46])([C:4]([H:25])([H:26])[H:27])[H:44])([N:6]([C:7](=[O:8])[O:9][C:10]([C:11]1:[C:12]([H:28]):[C:13]([H:29]):[C:14]([H:30]):[C:15]([H:31]):[C:16]:1[H:32])([H:33])[H:34])[H:35])[H:43])([O:18][H])[H:42]>>[C:1]([C:2]([C@:3]([C:4]([H:25])([H:26])[H:27])([C:5]([N:6]([C:7](=[O:8])[O:9][C:10]([C:11]1:[C:12]([H:28]):[C:13]([H:29]):[C:14]([H:30]):[C:15]([H:31]):[C:16]:1[H:32])([H:33])[H:34])[H:35])([C:17](=[O:18])[H:42])[H:43])[H:44])([H:45])[H:46])([H:47])([H:48])[H:49]
Derived Operators
EVODEX.1-F53 - Elemental Balance
| O | -3 |
| C | -3 |
| H | -6 |
EVODEX.1-M212 - Mass Difference
-90.03168000000001
EVODEX.1-E575 - Reaction Operator E
[#6:4]-[#6:5](-[#8:6]-[H])(-[#6@@](-[#8]-[H])(-[#6](=[#8])-[#6](-[#8]-[H])(-[H])-[H])-[H])-[H:19]>>[#6:4]-[#6:5](=[#8:6])-[H:19]
EVODEX.1-C270 - Reaction Operator C
[H]-[#8]-[#6](-[H])(-[H])-[#6](=[#8])-[#6@](-[H])(-[#8]-[H])-[#6:5]-[#8:6]-[H]>>[#6:5]=[#8:6]
EVODEX.1-N297 - Reaction Operator N
[H]-[#8]-[#6](-[H])(-[H])-[#6](=[#8])-[#6@](-[H])(-[#8]-[H])-[#6:5](-[#6:4])(-[#8:6]-[H])-[H:19]>>[#6:4]-[#6:5](=[#8:6])-[H:19]
EVODEX.1-Em87 - Reaction Operator Em
[#6]-[#6](-[H])(-[#8])-[#6:5](-[#6:4])-[#8:6]-[H]>>[#6:4]-[#6:5]=[#8:6]
EVODEX.1-Nm123 - Reaction Operator Nm
[#6]-[#6](-[H])(-[#8])-[#6:5](-[#6:4])-[#8:6]-[H]>>[#6:4]-[#6:5]=[#8:6]
Source Full Reactions
EVODEX.1-R6861
[H][O:18][C:17]([C:5]([C@:3]([C:2]([C:1]([H:47])([H:48])[H:49])([H:45])[H:46])([C:4]([H:25])([H:26])[H:27])[H:44])([N:6]([C:7](=[O:8])[O:9][C:10]([C:11]1:[C:12]([H:28]):[C:13]([H:29]):[C:14]([H:30]):[C:15]([H:31]):[C:16]:1[H:32])([H:33])[H:34])[H:35])[H:43])([C:19]([O:20][H:37])([C:21](=[O:22])[C:23]([O:24][H:38])([H:39])[H:40])[H:41])[H:42]>>[H][C:19]([O:20][H:37])([C:21](=[O:22])[C:23]([O:24][H:38])([H:39])[H:40])[H:41].[C:1]([C:2]([C@:3]([C:4]([H:25])([H:26])[H:27])([C:5]([N:6]([C:7](=[O:8])[O:9][C:10]([C:11]1:[C:12]([H:28]):[C:13]([H:29]):[C:14]([H:30]):[C:15]([H:31]):[C:16]:1[H:32])([H:33])[H:34])[H:35])([C:17](=[O:18])[H:42])[H:43])[H:44])([H:45])[H:46])([H:47])([H:48])[H:49]