EVODEX.1-P2372 - Partial Reaction

SMIRKS

[H][O:52][C:51]1:[C:50]([H:86]):[C:49]2:[O:48]:[C:41]([C:42]3:[C:43]([H:81]):[C:44]([H:82]):[C:45]([H:83]):[C:46]([H:84]):[C:47]:3[H:85]):[C:40]([H:80]):[C:39](=[O:38]):[C:57]:2:[C:55]([O:56][H:89]):[C:53]:1[O:54][H:88]>>[H]OC(=O)[C@@]1([H])O[C@@]([H])([O:52][C:51]2:[C:50]([H:86]):[C:49]3:[O:48]:[C:41]([C:42]4:[C:43]([H:81]):[C:44]([H:82]):[C:45]([H:83]):[C:46]([H:84]):[C:47]:4[H:85]):[C:40]([H:80]):[C:39](=[O:38]):[C:57]:3:[C:55]([O:56][H:89]):[C:53]:2[O:54][H:88])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]

Derived Operators

EVODEX.1-F150 - Elemental Balance

C	6
O	6
H	8

EVODEX.1-M557 - Mass Difference

176.03204

EVODEX.1-E813 - Reaction Operator E

[#6:1]-[#8:2]-[H]>>[#6:1]-[#8:2]-[#6@@]1(-[H])-[#8]-[#6@](-[#6](=[#8])-[#8]-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[H])-[H]

EVODEX.1-C379 - Reaction Operator C

[H]-[#8:52]>>[H]-[#8]-[#6](=[#8])-[#6@@]1(-[H])-[#8]-[#6@@](-[H])(-[#8:52])-[#6@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@]-1(-[H])-[#8]-[H]

EVODEX.1-N451 - Reaction Operator N

[H]-[#8:52]-[#6:51]>>[H]-[#8]-[#6](=[#8])-[#6@@]1(-[H])-[#8]-[#6@@](-[H])(-[#8:52]-[#6:51])-[#6@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@]-1(-[H])-[#8]-[H]

EVODEX.1-Em12 - Reaction Operator Em

[H]-[#8:36]-[#6:37]>>[#8]-[#6](-[H])(-[#8:36]-[#6:37])-[#6]

EVODEX.1-Cm7 - Reaction Operator Cm

[H]-[#8:28]>>[#6]-[#8:28]

EVODEX.1-Nm16 - Reaction Operator Nm

[H]-[#8:36]-[#6:37]>>[#8]-[#6](-[H])(-[#8:36]-[#6:37])-[#6]

Source Full Reactions

EVODEX.1-R3102

[O:1]=[C:2]([O:3][H:58])[C@@:4]1([H:59])[O:5][C@@:6]([O:7][P:8](=[O:9])([O:10][H:60])[O:11][P:12](=[O:13])([O:14][H:61])[O:15][C:16]([C@@:17]2([H:62])[O:18][C@:19]([N:20]3:[C:21]([H:63]):[C:22]([H:64]):[C:23](=[O:24]):[N:25]([H:65]):[C:26]:3=[O:27])([H:66])[C@@:28]([O:29][H:67])([H:68])[C@@:30]2([O:31][H:69])[H:70])([H:71])[H:72])([H:73])[C@@:32]([O:33][H:74])([H:75])[C@:34]([O:35][H:76])([H:77])[C@@:36]1([O:37][H:78])[H:79].[H][O:52][C:51]1:[C:50]([H:86]):[C:49]2:[O:48]:[C:41]([C:42]3:[C:43]([H:81]):[C:44]([H:82]):[C:45]([H:83]):[C:46]([H:84]):[C:47]:3[H:85]):[C:40]([H:80]):[C:39](=[O:38]):[C:57]:2:[C:55]([O:56][H:89]):[C:53]:1[O:54][H:88]>>[O:1]=[C:2]([O:3][H:58])[C@@:4]1([H:59])[O:5][C@:6]([O:52][C:51]2:[C:50]([H:86]):[C:49]3:[O:48]:[C:41]([C:42]4:[C:43]([H:81]):[C:44]([H:82]):[C:45]([H:83]):[C:46]([H:84]):[C:47]:4[H:85]):[C:40]([H:80]):[C:39](=[O:38]):[C:57]:3:[C:55]([O:56][H:89]):[C:53]:2[O:54][H:88])([H:73])[C@@:32]([O:33][H:74])([H:75])[C@:34]([O:35][H:76])([H:77])[C@@:36]1([O:37][H:78])[H:79].[H][O:7][P:8](=[O:9])([O:10][H:60])[O:11][P:12](=[O:13])([O:14][H:61])[O:15][C:16]([C@@:17]1([H:62])[O:18][C@:19]([N:20]2:[C:21]([H:63]):[C:22]([H:64]):[C:23](=[O:24]):[N:25]([H:65]):[C:26]:2=[O:27])([H:66])[C@@:28]([O:29][H:67])([H:68])[C@@:30]1([O:31][H:69])[H:70])([H:71])[H:72]