SMIRKS
[H][O:38][C:37]([C:36]([H:70])([H:71])[H:72])([H:68])[H:69]>>[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:38][C:37]([C:36]([H:70])([H:71])[H:72])([H:68])[H:69])[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-R5372
[C:1]([C:2](=[O:3])[N:4]([C@:5]1([H:39])[C:6]([O:7][C@:8]2([H:40])[O:9][C@@:10]([C:11]([O:12][H:41])([H:42])[H:43])([H:44])[C@@:13]([O:14][H:45])([H:46])[C@@:15]([O:16][H:47])([H:48])[C@:17]2([O:18][H:49])[H:50])([H:51])[C@:19]([O:20][H:52])([H:53])[C@:21]([C:22]([O:23][H:54])([H:55])[H:56])([H:57])[O:24][C@@:25]1([O:26][C:27]1:[C:28]([H:58]):[C:29]([H:59]):[C:30]([N+:31](=[O:32])[O-:33]):[C:34]([H:60]):[C:35]:1[H:61])[H:62])[H:63])([H:64])([H:65])[H:66].[H][O:38][C:37]([C:36]([H:70])([H:71])[H:72])([H:68])[H:69]>>[C:1]([C:2](=[O:3])[N:4]([C@:5]1([H:39])[C:6]([O:7][C@:8]2([H:40])[O:9][C@@:10]([C:11]([O:12][H:41])([H:42])[H:43])([H:44])[C@@:13]([O:14][H:45])([H:46])[C@@:15]([O:16][H:47])([H:48])[C@:17]2([O:18][H:49])[H:50])([H:51])[C@:19]([O:20][H:52])([H:53])[C@:21]([C:22]([O:23][H:54])([H:55])[H:56])([H:57])[O:24][C@:25]1([O:38][C:37]([C:36]([H:70])([H:71])[H:72])([H:68])[H:69])[H:62])[H:63])([H:64])([H:65])[H:66].[H][O:26][C:27]1:[C:28]([H:58]):[C:29]([H:59]):[C:30]([N+:31](=[O:32])[O-:33]):[C:34]([H:60]):[C:35]:1[H:61]