EVODEX.1-P2339 - Partial Reaction

SMIRKS

[H][S:40][C:39](=[N:38][O:37][H:77])[C:41]1:[C:42]([H:72]):[C:43]([H:73]):[C:44]([H:74]):[C:45]([H:75]):[C:46]:1[H:76]>>[H]OC([H])([H])[C@@]1([H])O[C@]([H])([S:40][C:39](=[N:38][O:37][H:77])[C:41]2:[C:42]([H:72]):[C:43]([H:73]):[C:44]([H:74]):[C:45]([H:75]):[C:46]:2[H:76])[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-R3059

[O:1]=[C:2]1:[C:3]([H:47]):[C:4]([H:48]):[N:5]([C@:6]2([H:49])[O:7][C@@:8]([C:9]([O:10][P:11](=[O:12])([O:13][H:50])[O:14][P:15](=[O:16])([O:17][H:51])[O:18][C@@:19]3([H:52])[O:20][C@@:21]([C:22]([O:23][H:53])([H:54])[H:55])([H:56])[C@:24]([O:25][H:57])([H:58])[C@@:26]([O:27][H:59])([H:60])[C@:28]3([O:29][H:61])[H:62])([H:63])[H:64])([H:65])[C@:30]([O:31][H:66])([H:67])[C@:32]2([O:33][H:68])[H:69]):[C:34](=[O:35]):[N:36]:1[H:70].[H][S:40][C:39](=[N:38][O:37][H:77])[C:41]1:[C:42]([H:72]):[C:43]([H:73]):[C:44]([H:74]):[C:45]([H:75]):[C:46]:1[H:76]>>[C@:19]1([S:40][C:39](=[N:38][O:37][H:77])[C:41]2:[C:42]([H:72]):[C:43]([H:73]):[C:44]([H:74]):[C:45]([H:75]):[C:46]:2[H:76])([H:52])[O:20][C@@:21]([C:22]([O:23][H:53])([H:54])[H:55])([H:56])[C@:24]([O:25][H:57])([H:58])[C@@:26]([O:27][H:59])([H:60])[C@:28]1([O:29][H:61])[H:62].[H][O:18][P:15]([O:14][P:11]([O:10][C:9]([C@@:8]1([H:65])[O:7][C@:6]([N:5]2:[C:4]([H:48]):[C:3]([H:47]):[C:2](=[O:1]):[N:36]([H:70]):[C:34]:2=[O:35])([H:49])[C@@:32]([O:33][H:68])([H:69])[C@@:30]1([O:31][H:66])[H:67])([H:63])[H:64])(=[O:12])[O:13][H:50])(=[O:16])[O:17][H:51]