EVODEX.1-P2336 - Partial Reaction

SMIRKS

[H][S:5][C:4]([C:2]([C:1]([H:50])([H:51])[H:52])([C:3]([H:44])([H:45])[H:46])[H:49])=[N:6][O:7][H:48]>>[H]OC([H])([H])[C@@]1([H])O[C@]([H])([S:5][C:4]([C:2]([C:1]([H:50])([H:51])[H:52])([C:3]([H:44])([H:45])[H:46])[H:49])=[N:6][O:7][H:48])[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-R3056

[H][S:5][C:4]([C:2]([C:1]([H:50])([H:51])[H:52])([C:3]([H:44])([H:45])[H:46])[H:49])=[N:6][O:7][H:48].[O:8]=[C:9]1:[C:10]([H:53]):[C:11]([H:54]):[N:12]([C@:13]2([H:55])[O:14][C@@:15]([C:16]([O:17][P:18](=[O:19])([O:20][H:56])[O:21][P:22](=[O:23])([O:24][H:57])[O:25][C@@:26]3([H:58])[O:27][C@@:28]([C:29]([O:30][H:59])([H:60])[H:61])([H:62])[C@:31]([O:32][H:63])([H:64])[C@@:33]([O:34][H:65])([H:66])[C@:35]3([O:36][H:67])[H:68])([H:69])[H:70])([H:71])[C@:37]([O:38][H:72])([H:73])[C@:39]2([O:40][H:74])[H:75]):[C:41](=[O:42]):[N:43]:1[H:76]>>[C:1]([C:2]([C:3]([H:44])([H:45])[H:46])([C:4]([S:5][C@@:26]1([H:58])[O:27][C@@:28]([C:29]([O:30][H:59])([H:60])[H:61])([H:62])[C@:31]([O:32][H:63])([H:64])[C@@:33]([O:34][H:65])([H:66])[C@:35]1([O:36][H:67])[H:68])=[N:6][O:7][H:48])[H:49])([H:50])([H:51])[H:52].[H][O:25][P:22]([O:21][P:18]([O:17][C:16]([C@@:15]1([H:71])[O:14][C@:13]([N:12]2:[C:11]([H:54]):[C:10]([H:53]):[C:9](=[O:8]):[N:43]([H:76]):[C:41]:2=[O:42])([H:55])[C@@:39]([O:40][H:74])([H:75])[C@@:37]1([O:38][H:72])[H:73])([H:69])[H:70])(=[O:19])[O:20][H:56])(=[O:23])[O:24][H:57]