EVODEX.1-P2409 - Partial Reaction

SMIRKS

[H][O:45][C:44]1:[C:43]([H:89]):[C:41]([O:42][H:88]):[C:40]2:[C:39]([H:87]):[C:38]([O:37][C@:36]3([H:97])[O:35][C@@:34]([C:33]([O:32][C:25](=[O:24])[C:26]([C:27]([O:28][H:81])([C:29](=[O:30])[O:31][H:82])[H:83])([H:84])[H:85])([H:104])[H:105])([H:86])[C@:61]([O:62][H:102])([H:103])[C@@:59]([O:60][H:100])([H:101])[C@:57]3([O:58][H:98])[H:99]):[C:49]([C:50]3:[C:51]([H:92]):[C:52]([H:93]):[C:53]([O:54][H:94]):[C:55]([H:95]):[C:56]:3[H:96]):[O+:48]:[C:47]:2:[C:46]:1[H:91]>>[H]OC([H])([H])[C@@]1([H])O[C@@]([H])([O:45][C:44]2:[C:43]([H:89]):[C:41]([O:42][H:88]):[C:40]3:[C:39]([H:87]):[C:38]([O:37][C@:36]4([H:97])[O:35][C@@:34]([C:33]([O:32][C:25](=[O:24])[C:26]([C:27]([O:28][H:81])([C:29](=[O:30])[O:31][H:82])[H:83])([H:84])[H:85])([H:104])[H:105])([H:86])[C@:61]([O:62][H:102])([H:103])[C@@:59]([O:60][H:100])([H:101])[C@:57]4([O:58][H:98])[H:99]):[C:49]([C:50]4:[C:51]([H:92]):[C:52]([H:93]):[C:53]([O:54][H:94]):[C:55]([H:95]):[C:56]:4[H:96]):[O+:48]:[C:47]:3:[C:46]:2[H:91])[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-E524 - Reaction Operator E

([#6:36]-[#8:37]-[H].[#8:50]-[#6@:49](-[#6@:28])(-[H:86])-[#6@:51](-[#8:52])(-[H:88])-[#6@@:53](-[#6@@:26])(-[#8:54])-[H:90])>>([#8:37](-[#6@]1(-[H])-[#8]-[#6@@](-[#6](-[#8]-[H])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])-[#6:36].[#8:54]-[#6@@:53](-[#6@@:26])(-[H:90])-[#6@@:51](-[#8:52])(-[H:88])-[#6@:49](-[#6@:28])(-[#8:50])-[H:86])

EVODEX.1-C24 - Reaction Operator C

[H]-[#8:20]>>[H]-[#8]-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6](-[H])(-[#8:20])-[#6@@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@]-1(-[H])-[#8]-[H]

EVODEX.1-N9 - Reaction Operator N

[H]-[#8:48]-[#6@:47]>>[H]-[#8]-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6@@](-[H])(-[#8:48]-[#6@:47])-[#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-R3142

[C:1]([O:2][C:3]1:[C:4]([H:63]):[C:5]([C:6](=[O:7])[O:8][C@:9]2([H:64])[O:10][C@@:11]([C:12]([O:13][H:65])([H:66])[H:67])([H:68])[C@:14]([O:15][H:69])([H:70])[C@@:16]([O:17][H:71])([H:72])[C@:18]2([O:19][H:73])[H:74]):[C:20]([H:75]):[C:21]([H:76]):[C:22]:1[O:23][H:77])([H:78])([H:79])[H:80].[H][O:45][C:44]1:[C:43]([H:89]):[C:41]([O:42][H:88]):[C:40]2:[C:39]([H:87]):[C:38]([O:37][C@:36]3([H:97])[O:35][C@@:34]([C:33]([O:32][C:25](=[O:24])[C:26]([C:27]([O:28][H:81])([C:29](=[O:30])[O:31][H:82])[H:83])([H:84])[H:85])([H:104])[H:105])([H:86])[C@:61]([O:62][H:102])([H:103])[C@@:59]([O:60][H:100])([H:101])[C@:57]3([O:58][H:98])[H:99]):[C:49]([C:50]3:[C:51]([H:92]):[C:52]([H:93]):[C:53]([O:54][H:94]):[C:55]([H:95]):[C:56]:3[H:96]):[O+:48]:[C:47]:2:[C:46]:1[H:91]>>[C@@:9]1([O:45][C:44]2:[C:43]([H:89]):[C:41]([O:42][H:88]):[C:40]3:[C:39]([H:87]):[C:38]([O:37][C@:36]4([H:97])[O:35][C@@:34]([C:33]([O:32][C:25](=[O:24])[C:26]([C:27]([O:28][H:81])([C:29](=[O:30])[O:31][H:82])[H:83])([H:84])[H:85])([H:104])[H:105])([H:86])[C@:61]([O:62][H:102])([H:103])[C@@:59]([O:60][H:100])([H:101])[C@:57]4([O:58][H:98])[H:99]):[C:49]([C:50]4:[C:51]([H:92]):[C:52]([H:93]):[C:53]([O:54][H:94]):[C:55]([H:95]):[C:56]:4[H:96]):[O+:48]:[C:47]:3:[C:46]:2[H:91])([H:64])[O:10][C@@:11]([C:12]([O:13][H:65])([H:66])[H:67])([H:68])[C@:14]([O:15][H:69])([H:70])[C@@:16]([O:17][H:71])([H:72])[C@:18]1([O:19][H:73])[H:74].[H][O:8][C:6]([C:5]1:[C:4]([H:63]):[C:3]([O:2][C:1]([H:78])([H:79])[H:80]):[C:22]([O:23][H:77]):[C:21]([H:76]):[C:20]:1[H:75])=[O:7]