EVODEX.1-P4391 - Partial Reaction

SMIRKS

[H][O:44][C:45]1:[C:46]([H:87]):[C:47]([H:88]):[C:48]([H:89]):[C:49]([O:50][H:90]):[C:51]:1[O:52][H:91]>>[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(OC([H])([H])[C@@]2([H])O[C@@]([H])([O:44][C:45]3:[C:46]([H:87]):[C:47]([H:88]):[C:48]([H:89]):[C:49]([O:50][H:90]):[C:51]:3[O:52][H:91])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]2([H])O[H])O[C@@]([H])(C([H])([H])[H])[C@]1([H])O[H]

Derived Operators

EVODEX.1-F475 - Elemental Balance

C	12
O	9
H	20

EVODEX.1-M454 - Mass Difference

308.1107

EVODEX.1-E1289 - Reaction Operator E

[#8:44](-[#6:45])-[H]>>[#8:44](-[#6@]1(-[H])-[#8]-[#6@@](-[#6](-[#8]-[#6@]2(-[H])-[#8]-[#6@](-[#6](-[H])(-[H])-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-2(-[#8]-[H])-[H])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])-[#6:45]

EVODEX.1-C536 - Reaction Operator C

[H]-[#8:44]>>[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#8]-[#6](-[H])(-[H])-[#6@@]2(-[H])-[#8]-[#6@@](-[H])(-[#8:44])-[#6@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@]-2(-[H])-[#8]-[H])-[#8]-[#6@@](-[H])(-[#6](-[H])(-[H])-[H])-[#6@]-1(-[H])-[#8]-[H]

EVODEX.1-N684 - Reaction Operator N

[H]-[#8:44]-[#6:45]>>[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#8]-[#6](-[H])(-[H])-[#6@@]2(-[H])-[#8]-[#6@@](-[H])(-[#8:44]-[#6:45])-[#6@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@]-2(-[H])-[#8]-[H])-[#8]-[#6@@](-[H])(-[#6](-[H])(-[H])-[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-R5229

[C:1]([O:2][C:3]1:[C:4]([H:53]):[C:5]([H:54]):[C:6]([C@:7]2([H:55])[C:8]([H:56])([H:57])[C:9](=[O:10])[C:11]3:[C:12]([O:13][H:58]):[C:14]([H:59]):[C:15]([O:16][C@:17]4([H:60])[O:18][C@@:19]([C:20]([O:21][C@:22]5([H:61])[O:23][C@:24]([C:25]([H:62])([H:63])[H:64])([H:65])[C@@:26]([O:27][H:66])([H:67])[C@:28]([O:29][H:68])([H:69])[C@:30]5([O:31][H:70])[H:71])([H:72])[H:73])([H:74])[C@:32]([O:33][H:75])([H:76])[C@@:34]([O:35][H:77])([H:78])[C@:36]4([O:37][H:79])[H:80]):[C:38]([H:81]):[C:39]:3[O:40]2):[C:41]([H:82]):[C:42]:1[O:43][H:83])([H:84])([H:85])[H:86].[H][O:44][C:45]1:[C:46]([H:87]):[C:47]([H:88]):[C:48]([H:89]):[C:49]([O:50][H:90]):[C:51]:1[O:52][H:91]>>[C@@:17]1([O:44][C:45]2:[C:46]([H:87]):[C:47]([H:88]):[C:48]([H:89]):[C:49]([O:50][H:90]):[C:51]:2[O:52][H:91])([H:60])[O:18][C@@:19]([C:20]([O:21][C@:22]2([H:61])[O:23][C@:24]([C:25]([H:62])([H:63])[H:64])([H:65])[C@@:26]([O:27][H:66])([H:67])[C@:28]([O:29][H:68])([H:69])[C@:30]2([O:31][H:70])[H:71])([H:72])[H:73])([H:74])[C@:32]([O:33][H:75])([H:76])[C@@:34]([O:35][H:77])([H:78])[C@:36]1([O:37][H:79])[H:80].[H][O:16][C:15]1:[C:14]([H:59]):[C:12]([O:13][H:58]):[C:11]2:[C:39](:[C:38]:1[H:81])[O:40][C@@:7]([C:6]1:[C:5]([H:54]):[C:4]([H:53]):[C:3]([O:2][C:1]([H:84])([H:85])[H:86]):[C:42]([O:43][H:83]):[C:41]:1[H:82])([H:55])[C:8]([H:56])([H:57])[C:9]2=[O:10]