SMIRKS
[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(O[C@:4]2([H:37])[C:3](=[O:2])[N:24]([O:25][H:42])[C:23]3:[C:18](:[C:19]([H:38]):[C:20]([H:39]):[C:21]([H:40]):[C:22]:3[H:41])[O:17]2)[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]>>[H]O[C@@:4]1([H:37])[C:3](=[O:2])[N:24]([O:25][H:42])[C:23]2:[C:18](:[C:19]([H:38]):[C:20]([H:39]):[C:21]([H:40]):[C:22]:2[H:41])[O:17]1
Derived Operators
EVODEX.1-F43 - Elemental Balance
| O | -5 |
| C | -6 |
| H | -10 |
EVODEX.1-M30 - Mass Difference
-162.0528
EVODEX.1-E522 - Reaction Operator E
[#6:3]-[#6@@:4](-[#8:5]-[#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:50])-[#8:17]>>[#6:3]-[#6:4](-[#8:5]-[H])(-[H:50])-[#8:17]
EVODEX.1-C168 - Reaction Operator C
[H]-[#8]-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6@@](-[H])(-[#8]-[#6@@:7])-[#6@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@@]-1(-[H])-[#8]-[H]>>[H]-[#8]-[#6@:7]
EVODEX.1-N455 - Reaction Operator N
[H]-[#8]-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6@@](-[H])(-[#8]-[#6@:4](-[H:37])(-[#6:3])-[#8:17])-[#6@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@]-1(-[H])-[#8]-[H]>>[H]-[#8]-[#6@@:4](-[H:37])(-[#6:3])-[#8:17]
Source Full Reactions
EVODEX.1-R5258
[O:2]=[C:3]1[C@:4]([O:5][C@:6]2([H:26])[O:7][C@@:8]([C:9]([O:10][H:27])([H:28])[H:29])([H:30])[C@:11]([O:12][H:31])([H:32])[C@@:13]([O:14][H:33])([H:34])[C@:15]2([O:16][H:35])[H:36])([H:37])[O:17][C:18]2:[C:19]([H:38]):[C:20]([H:39]):[C:21]([H:40]):[C:22]([H:41]):[C:23]:2[N:24]1[O:25][H:42].[H][O:1][H:43]>>[O:1]([C@@:4]1([H:37])[C:3](=[O:2])[N:24]([O:25][H:42])[C:23]2:[C:18](:[C:19]([H:38]):[C:20]([H:39]):[C:21]([H:40]):[C:22]:2[H:41])[O:17]1)[H:43].[H][O:5][C:6]1([H:26])[O:7][C@@:8]([C:9]([O:10][H:27])([H:28])[H:29])([H:30])[C@:11]([O:12][H:31])([H:32])[C@@:13]([O:14][H:33])([H:34])[C@:15]1([O:16][H:35])[H:36]