EVODEX.1-P4385 - Partial Reaction

SMIRKS

[H][O:55][C:54]1:[C:52]([O:53][H:90]):[C:51]([H:89]):[C:50]([H:88]):[C:49]([C:48](=[C:47]([C:45](=[O:44])[O:46][H:87])[H:94])[H:93]):[C:56]:1[H:92]>>[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(OC([H])([H])[C@@]2([H])O[C@@]([H])([O:55][C:54]3:[C:52]([O:53][H:90]):[C:51]([H:89]):[C:50]([H:88]):[C:49]([C:48](=[C:47]([C:45](=[O:44])[O:46][H:87])[H:94])[H:93]):[C:56]:3[H:92])[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-R5224

[C:1]([C@:2]1([H:57])[O:3][C@:4]([O:5][C:6]([C@@:7]2([H:58])[O:8][C@:9]([O:10][C:11]3:[C:12]([C:13]4:[C:14]([H:59]):[C:15]([H:60]):[C:16]([O:17][H:61]):[C:18]([O:19][H:62]):[C:20]:4[H:63]):[O:21]:[C:22]4:[C:23]([H:64]):[C:24]([O:25][H:65]):[C:26]([H:66]):[C:27]([O:28][H:67]):[C:29]:4:[C:30]:3=[O:31])([H:68])[C@@:32]([O:33][H:69])([H:70])[C@:34]([O:35][H:71])([H:72])[C@@:36]2([O:37][H:73])[H:74])([H:75])[H:76])([H:77])[C@@:38]([O:39][H:78])([H:79])[C@@:40]([O:41][H:80])([H:81])[C@:42]1([O:43][H:82])[H:83])([H:84])([H:85])[H:86].[H][O:55][C:54]1:[C:52]([O:53][H:90]):[C:51]([H:89]):[C:50]([H:88]):[C:49]([C:48](=[C:47]([C:45](=[O:44])[O:46][H:87])[H:94])[H:93]):[C:56]:1[H:92]>>[C:1]([C@:2]1([H:57])[O:3][C@:4]([O:5][C:6]([C@@:7]2([H:58])[O:8][C@:9]([O:55][C:54]3:[C:52]([O:53][H:90]):[C:51]([H:89]):[C:50]([H:88]):[C:49]([C:48](=[C:47]([C:45](=[O:44])[O:46][H:87])[H:94])[H:93]):[C:56]:3[H:92])([H:68])[C@@:32]([O:33][H:69])([H:70])[C@:34]([O:35][H:71])([H:72])[C@@:36]2([O:37][H:73])[H:74])([H:75])[H:76])([H:77])[C@@:38]([O:39][H:78])([H:79])[C@@:40]([O:41][H:80])([H:81])[C@:42]1([O:43][H:82])[H:83])([H:84])([H:85])[H:86].[H][O:10][C:11]1:[C:12]([C:13]2:[C:14]([H:59]):[C:15]([H:60]):[C:16]([O:17][H:61]):[C:18]([O:19][H:62]):[C:20]:2[H:63]):[O:21]:[C:22]2:[C:23]([H:64]):[C:24]([O:25][H:65]):[C:26]([H:66]):[C:27]([O:28][H:67]):[C:29]:2:[C:30]:1=[O:31]