EVODEX.1-P2332 - Partial Reaction

SMIRKS

[H][S:4][C:3]([C:2]([C:1]([H:47])([H:48])[H:49])([H:45])[H:46])=[N:5][O:6][H:44]>>[H]OC([H])([H])[C@@]1([H])O[C@]([H])([S:4][C:3]([C:2]([C:1]([H:47])([H:48])[H:49])([H:45])[H:46])=[N:5][O:6][H:44])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]

Derived Operators

EVODEX.1-F44 - Elemental Balance

O	5
C	6
H	10

EVODEX.1-M15 - Mass Difference

162.0528

EVODEX.1-E529 - Reaction Operator E

[#16:22](-[#6@:21])-[H]>>[#16:22](-[#6@:21])-[#6@]1(-[H])-[#8]-[#6@@](-[#6](-[#8]-[H])(-[H])-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H]

EVODEX.1-C383 - Reaction Operator C

[H]-[#16:40]>>[H]-[#8]-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6@](-[H])(-[#16:40])-[#6@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@]-1(-[H])-[#8]-[H]

EVODEX.1-N454 - Reaction Operator N

[H]-[#16:40]-[#6:39]>>[H]-[#8]-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6@](-[H])(-[#16:40]-[#6:39])-[#6@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@]-1(-[H])-[#8]-[H]

EVODEX.1-Em498 - Reaction Operator Em

[H]-[#16:40]-[#6:39]>>[#8]-[#6](-[H])(-[#16:40]-[#6:39])-[#6]

EVODEX.1-Cm27 - Reaction Operator Cm

[H]-[#16:13]>>[#6]-[#16:13]

EVODEX.1-Nm449 - Reaction Operator Nm

[H]-[#16:40]-[#6:39]>>[#8]-[#6](-[H])(-[#16:40]-[#6:39])-[#6]

Source Full Reactions

EVODEX.1-R3054

[H][S:4][C:3]([C:2]([C:1]([H:47])([H:48])[H:49])([H:45])[H:46])=[N:5][O:6][H:44].[O:7]=[C:8]1:[C:9]([H:50]):[C:10]([H:51]):[N:11]([C@:12]2([H:52])[O:13][C@@:14]([C:15]([O:16][P:17](=[O:18])([O:19][H:53])[O:20][P:21](=[O:22])([O:23][H:54])[O:24][C@@:25]3([H:55])[O:26][C@@:27]([C:28]([O:29][H:56])([H:57])[H:58])([H:59])[C@:30]([O:31][H:60])([H:61])[C@@:32]([O:33][H:62])([H:63])[C@:34]3([O:35][H:64])[H:65])([H:66])[H:67])([H:68])[C@:36]([O:37][H:69])([H:70])[C@:38]2([O:39][H:71])[H:72]):[C:40](=[O:41]):[N:42]:1[H:73]>>[C:1]([C:2]([C:3]([S:4][C@@:25]1([H:55])[O:26][C@@:27]([C:28]([O:29][H:56])([H:57])[H:58])([H:59])[C@:30]([O:31][H:60])([H:61])[C@@:32]([O:33][H:62])([H:63])[C@:34]1([O:35][H:64])[H:65])=[N:5][O:6][H:44])([H:45])[H:46])([H:47])([H:48])[H:49].[H][O:24][P:21]([O:20][P:17]([O:16][C:15]([C@@:14]1([H:68])[O:13][C@:12]([N:11]2:[C:10]([H:51]):[C:9]([H:50]):[C:8](=[O:7]):[N:42]([H:73]):[C:40]:2=[O:41])([H:52])[C@@:38]([O:39][H:71])([H:72])[C@@:36]1([O:37][H:69])[H:70])([H:66])[H:67])(=[O:18])[O:19][H:53])(=[O:22])[O:23][H:54]