SMIRKS
[H][O:4][C:3]([C:2](=[C:1]([H:44])[H:45])[H:43])([H:41])[H:42]>>[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(OC2([H])[C@@]([H])(O[H])[C@@]([H])(C([H])([H])O[H])O[C@@]([H])([O:4][C:3]([C:2](=[C:1]([H:44])[H:45])[H:43])([H:41])[H:42])[C@]2([H])N([H])C(=O)C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]1([H])O[H]
Derived Operators
EVODEX.1-F394 - Elemental Balance
| O | 10 |
| C | 14 |
| N | 1 |
| H | 23 |
EVODEX.1-M390 - Mass Difference
365.13219
EVODEX.1-E1199 - Reaction Operator E
[#8:36](-[#6:37])-[H]>>[#6](-[#6](=[#8])-[#7](-[#6@]1(-[H])-[#6](-[#8]-[#6@]2(-[H])-[#8]-[#6@@](-[#6](-[#8]-[H])(-[H])-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@]-2(-[#8]-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@](-[#6](-[#8]-[H])(-[H])-[H])(-[H])-[#8]-[#6@]-1(-[#8:36]-[#6:37])-[H])-[H])(-[H])(-[H])-[H]
EVODEX.1-C542 - Reaction Operator C
[H]-[#8:36]>>[H]-[#8]-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6@@](-[H])(-[#8]-[#6]2(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#6](-[H])(-[H])-[#8]-[H])-[#8]-[#6@@](-[H])(-[#8:36])-[#6@]-2(-[H])-[#7](-[H])-[#6](=[#8])-[#6](-[H])(-[H])-[H])-[#6@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@@]-1(-[H])-[#8]-[H]
EVODEX.1-N691 - Reaction Operator N
[H]-[#8:36]-[#6:37]>>[H]-[#8]-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6@@](-[H])(-[#8]-[#6]2(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#6](-[H])(-[H])-[#8]-[H])-[#8]-[#6@@](-[H])(-[#8:36]-[#6:37])-[#6@]-2(-[H])-[#7](-[H])-[#6](=[#8])-[#6](-[H])(-[H])-[H])-[#6@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@@]-1(-[H])-[#8]-[H]
Source Full Reactions
EVODEX.1-R5375
[H][O:4][C:3]([C:2](=[C:1]([H:44])[H:45])[H:43])([H:41])[H:42].[C:5]([C:6](=[O:7])[N:8]([C@:9]1([H:46])[C:10]([O:11][C@:12]2([H:47])[O:13][C@@:14]([C:15]([O:16][H:48])([H:49])[H:50])([H:51])[C@@:17]([O:18][H:52])([H:53])[C@@:19]([O:20][H:54])([H:55])[C@:21]2([O:22][H:56])[H:57])([H:58])[C@:23]([O:24][H:59])([H:60])[C@:25]([C:26]([O:27][H:61])([H:62])[H:63])([H:64])[O:28][C@@:29]1([O:30][C:31]1:[C:32]([H:65]):[C:33]([H:66]):[C:34]([N+:35](=[O:36])[O-:37]):[C:38]([H:67]):[C:39]:1[H:68])[H:69])[H:70])([H:71])([H:72])[H:73]>>[C:1](=[C:2]([C:3]([O:4][C@@:29]1([H:69])[C@@:9]([N:8]([C:6]([C:5]([H:71])([H:72])[H:73])=[O:7])[H:70])([H:46])[C:10]([O:11][C@:12]2([H:47])[O:13][C@@:14]([C:15]([O:16][H:48])([H:49])[H:50])([H:51])[C@@:17]([O:18][H:52])([H:53])[C@@:19]([O:20][H:54])([H:55])[C@:21]2([O:22][H:56])[H:57])([H:58])[C@:23]([O:24][H:59])([H:60])[C@:25]([C:26]([O:27][H:61])([H:62])[H:63])([H:64])[O:28]1)([H:41])[H:42])[H:43])([H:44])[H:45].[H][O:30][C:31]1:[C:32]([H:65]):[C:33]([H:66]):[C:34]([N+:35](=[O:36])[O-:37]):[C:38]([H:67]):[C:39]:1[H:68]