SMIRKS
[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(O[C:12]2([H:46])[C@:9]([C:10]([O:11][H:31])([H:32])[H:33])([H:34])[O:8][C:6]([O:7][H:29])([H:30])[C@:5]([N:4]([C:2]([C:1]([H:50])([H:51])[H:52])=[O:3])[H:49])([H:28])[C@:25]2([O:26][H:47])[H:48])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H].[H][O:27][H:53]>>[C:1]([C:2](=[O:3])[N:4]([C@:5]1([H:28])[C:6]([O:7][H:29])([H:30])[O:8][C@@:9]([C:10]([O:11][H:31])([H:32])[H:33])([H:34])[C@:12]([O:27][H:53])([H:46])[C@@:25]1([O:26][H:47])[H:48])[H:49])([H:50])([H:51])[H:52]
Derived Operators
EVODEX.1-F359 - Elemental Balance
| O | -6 |
| C | -6 |
| H | -12 |
EVODEX.1-M41 - Mass Difference
-180.06336000000002
EVODEX.1-E1096 - Reaction Operator E
[#8](-[#6@@:29](-[#6@@:26])(-[H:81])-[#6@@:42])-[#6@]1(-[H])-[#8]-[#6@@](-[#6](-[#8]-[H])(-[H])-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H].[#8:64](-[H:160])-[H]>>[#8:64](-[#6@:29](-[#6@@:26])(-[H:81])-[#6@@:42])-[H:160]
EVODEX.1-C1404 - Reaction Operator C
[H]-[#8]-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6@@](-[H])(-[#8]-[#6:12](-[#6@:9])-[#6@:25])-[#6@@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@]-1(-[H])-[#8]-[H].[H]-[#8:27]>>[#8:27]-[#6@@:12](-[#6@@:9])-[#6@@:25]
EVODEX.1-N1786 - Reaction Operator N
[H]-[#8]-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6@@](-[H])(-[#8]-[#6:12](-[H:46])(-[#6@:9](-[#6:10])(-[H:34])-[#8:8])-[#6@@:25](-[#6@:5])(-[#8:26])-[H:48])-[#6@@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@]-1(-[H])-[#8]-[H].[H]-[#8:27]-[H:53]>>[#8:8]-[#6@@:9](-[#6:10])(-[H:34])-[#6@:12](-[#8:27]-[H:53])(-[H:46])-[#6@@:25](-[#6@:5])(-[#8:26])-[H:48]
EVODEX.1-Em68 - Reaction Operator Em
[#6]-[#8]-[#6:19](-[#6:10])-[#6:17].[H]-[#8:38]>>[#6:10]-[#6:19](-[#6:17])-[#8:38]
EVODEX.1-Nm82 - Reaction Operator Nm
[#6]-[#8]-[#6:19](-[#6:10])-[#6:17].[H]-[#8:38]>>[#6:10]-[#6:19](-[#6:17])-[#8:38]
Source Full Reactions
EVODEX.1-R5312
[C:1]([C:2](=[O:3])[N:4]([C@:5]1([H:28])[C:6]([O:7][H:29])([H:30])[O:8][C@@:9]([C:10]([O:11][H:31])([H:32])[H:33])([H:34])[C:12]([O:13][C@:14]2([H:35])[O:15][C@@:16]([C:17]([O:18][H:36])([H:37])[H:38])([H:39])[C@:19]([O:20][H:40])([H:41])[C@@:21]([O:22][H:42])([H:43])[C@@:23]2([O:24][H:44])[H:45])([H:46])[C@@:25]1([O:26][H:47])[H:48])[H:49])([H:50])([H:51])[H:52].[H][O:27][H:53]>>[C:1]([C:2](=[O:3])[N:4]([C@:5]1([H:28])[C:6]([O:7][H:29])([H:30])[O:8][C@@:9]([C:10]([O:11][H:31])([H:32])[H:33])([H:34])[C@:12]([O:27][H:53])([H:46])[C@@:25]1([O:26][H:47])[H:48])[H:49])([H:50])([H:51])[H:52].[H][O:13][C:14]1([H:35])[O:15][C@@:16]([C:17]([O:18][H:36])([H:37])[H:38])([H:39])[C@:19]([O:20][H:40])([H:41])[C@@:21]([O:22][H:42])([H:43])[C@@:23]1([O:24][H:44])[H:45]