EVODEX.1-P2338 - Partial Reaction

SMIRKS

[H][S:6][C:5]([C:4]([C:3]([C:2]([C:1]([H:53])([H:54])[H:55])([H:51])[H:52])([H:49])[H:50])([H:47])[H:48])=[N:7][S:8][H:46]>>[H]OC([H])([H])[C@@]1([H])O[C@]([H])([S:6][C:5]([C:4]([C:3]([C:2]([C:1]([H:53])([H:54])[H:55])([H:51])[H:52])([H:49])[H:50])([H:47])[H:48])=[N:7][S:8][H:46])[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-R3058

[H][S:6][C:5]([C:4]([C:3]([C:2]([C:1]([H:53])([H:54])[H:55])([H:51])[H:52])([H:49])[H:50])([H:47])[H:48])=[N:7][S:8][H:46].[O:9]=[C:10]1:[C:11]([H:56]):[C:12]([H:57]):[N:13]([C@:14]2([H:58])[O:15][C@@:16]([C:17]([O:18][P:19](=[O:20])([O:21][H:59])[O:22][P:23](=[O:24])([O:25][H:60])[O:26][C@@:27]3([H:61])[O:28][C@@:29]([C:30]([O:31][H:62])([H:63])[H:64])([H:65])[C@:32]([O:33][H:66])([H:67])[C@@:34]([O:35][H:68])([H:69])[C@:36]3([O:37][H:70])[H:71])([H:72])[H:73])([H:74])[C@:38]([O:39][H:75])([H:76])[C@:40]2([O:41][H:77])[H:78]):[C:42](=[O:43]):[N:44]:1[H:79]>>[C:1]([C:2]([C:3]([C:4]([C:5]([S:6][C@@:27]1([H:61])[O:28][C@@:29]([C:30]([O:31][H:62])([H:63])[H:64])([H:65])[C@:32]([O:33][H:66])([H:67])[C@@:34]([O:35][H:68])([H:69])[C@:36]1([O:37][H:70])[H:71])=[N:7][S:8][H:46])([H:47])[H:48])([H:49])[H:50])([H:51])[H:52])([H:53])([H:54])[H:55].[H][O:26][P:23]([O:22][P:19]([O:18][C:17]([C@@:16]1([H:74])[O:15][C@:14]([N:13]2:[C:12]([H:57]):[C:11]([H:56]):[C:10](=[O:9]):[N:44]([H:79]):[C:42]:2=[O:43])([H:58])[C@@:40]([O:41][H:77])([H:78])[C@@:38]1([O:39][H:75])[H:76])([H:72])[H:73])(=[O:20])[O:21][H:59])(=[O:24])[O:25][H:60]