SMIRKS
[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(O[C@@:10]2([H:42])[O:9][C:7]3:[C:6](:[C:5]([H:29]):[C:4]([H:28]):[C:3]([O:2][C:1]([H:44])([H:45])[H:46]):[C:8]:3[H:30])[N:25]([O:26][H:43])[C:23]2=[O:24])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H].[H][O:27][H:47]>>[C:1]([O:2][C:3]1:[C:4]([H:28]):[C:5]([H:29]):[C:6]2:[C:7](:[C:8]:1[H:30])[O:9][C@:10]([O:27][H:47])([H:42])[C:23](=[O:24])[N:25]2[O:26][H:43])([H:44])([H:45])[H:46]
Derived Operators
EVODEX.1-F359 - Elemental Balance
| O | -6 |
| C | -6 |
| H | -12 |
EVODEX.1-M41 - Mass Difference
-180.06336000000002
EVODEX.1-E1097 - Reaction Operator E
[#8:7]-[#6@:8](-[#8]-[#6@]1(-[H])-[#8]-[#6@@](-[#6](-[#8]-[H])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[H:41])-[#6@@:21].[#8:28](-[H:53])-[H]>>[#8:7]-[#6@:8](-[#8:28]-[H:53])(-[H:41])-[#6@@:21]
EVODEX.1-C45 - Reaction Operator C
[H]-[#8]-[#6](-[H])(-[H])-[#6]1(-[H])-[#8]-[#6](-[H])(-[#8]-[#6:20])-[#6](-[H])(-[#8]-[H])-[#6](-[H])(-[#8]-[H])-[#6]-1(-[H])-[#8]-[H].[H]-[#8:50]>>[#6:20]-[#8:50]
EVODEX.1-N1772 - Reaction Operator N
[H]-[#8]-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6@@](-[H])(-[#8]-[#6@@:10](-[H:42])(-[#8:9])-[#6:23])-[#6@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@]-1(-[H])-[#8]-[H].[H]-[#8:27]-[H:47]>>[#8:9]-[#6@:10](-[#8:27]-[H:47])(-[H:42])-[#6:23]
EVODEX.1-Em124 - Reaction Operator Em
[#6]-[#8]-[#6:13](-[#6:11])-[#8:27].[H]-[#8:39]>>[#6:11]-[#6:13](-[#8:39])-[#8:27]
EVODEX.1-Nm158 - Reaction Operator Nm
[#6]-[#8]-[#6:13](-[#6:11])-[#8:27].[H]-[#8:39]>>[#6:11]-[#6:13](-[#8:39])-[#8:27]
Source Full Reactions
EVODEX.1-R5257
[C:1]([O:2][C:3]1:[C:4]([H:28]):[C:5]([H:29]):[C:6]2:[C:7](:[C:8]:1[H:30])[O:9][C@@:10]([O:11][C@:12]1([H:31])[O:13][C@@:14]([C:15]([O:16][H:32])([H:33])[H:34])([H:35])[C@:17]([O:18][H:36])([H:37])[C@@:19]([O:20][H:38])([H:39])[C@:21]1([O:22][H:40])[H:41])([H:42])[C:23](=[O:24])[N:25]2[O:26][H:43])([H:44])([H:45])[H:46].[H][O:27][H:47]>>[C:1]([O:2][C:3]1:[C:4]([H:28]):[C:5]([H:29]):[C:6]2:[C:7](:[C:8]:1[H:30])[O:9][C@:10]([O:27][H:47])([H:42])[C:23](=[O:24])[N:25]2[O:26][H:43])([H:44])([H:45])[H:46].[H][O:11][C:12]1([H:31])[O:13][C@@:14]([C:15]([O:16][H:32])([H:33])[H:34])([H:35])[C@:17]([O:18][H:36])([H:37])[C@@:19]([O:20][H:38])([H:39])[C@:21]1([O:22][H:40])[H:41]