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EVODEX.1-P2268

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:57][C@:56]1([H:98])[C@:54]([O:55][H:95])([H:96])[C@@:41]([O:42][C:43]([C:44]2:[C:45]([H:85]):[C:46]([H:86]):[C:47]([H:87]):[C:48]3:[C:49]([H:88]):[C:50]([H:89]):[C:51]([H:90]):[C:52]([H:91]):[C:53]:2:3)([H:92])[H:93])([H:94])[O:40][C@@:39]([C:38]([O:37][H:103])([H:101])[H:102])([H:84])[C@@:58]1([O:59][H:99])[H:100]>>[H]OC([H])([H])[C@@]1([H])O[C@@]([H])([O:57][C@:56]2([H:98])[C@:54]([O:55][H:95])([H:96])[C@@:41]([O:42][C:43]([C:44]3:[C:45]([H:85]):[C:46]([H:86]):[C:47]([H:87]):[C:48]4:[C:49]([H:88]):[C:50]([H:89]):[C:51]([H:90]):[C:52]([H:91]):[C:53]:3:4)([H:92])[H:93])([H:94])[O:40][C@@:39]([C:38]([O:37][H:103])([H:101])[H:102])([H:84])[C@@:58]2([O:59][H:99])[H:100])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]1([H])O[H]

Derived Operators

EVODEX.1-F44 - Elemental Balance

O5
C6
H10

EVODEX.1-M15 - Mass Difference

162.0528

EVODEX.1-C24 - Reaction Operator C

Reaction Operator C SMIRKS

[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

Reaction Operator N SMIRKS

[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

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm7 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm16 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R2998

Full Reaction Rendering

[O:1]=[C:2]1:[C:3]([H:60]):[C:4]([H:61]):[N:5]([C@:6]2([H:62])[O:7][C@@:8]([C:9]([O:10][P:11](=[O:12])([O:13][H:63])[O:14][P:15](=[O:16])([O:17][H:64])[O:18][C@@:19]3([H:65])[O:20][C@@:21]([C:22]([O:23][H:66])([H:67])[H:68])([H:69])[C@@:24]([O:25][H:70])([H:71])[C@@:26]([O:27][H:72])([H:73])[C@:28]3([O:29][H:74])[H:75])([H:76])[H:77])([H:78])[C@:30]([O:31][H:79])([H:80])[C@:32]2([O:33][H:81])[H:82]):[C:34](=[O:35]):[N:36]:1[H:83].[H][O:57][C@:56]1([H:98])[C@:54]([O:55][H:95])([H:96])[C@@:41]([O:42][C:43]([C:44]2:[C:45]([H:85]):[C:46]([H:86]):[C:47]([H:87]):[C:48]3:[C:49]([H:88]):[C:50]([H:89]):[C:51]([H:90]):[C:52]([H:91]):[C:53]:2:3)([H:92])[H:93])([H:94])[O:40][C@@:39]([C:38]([O:37][H:103])([H:101])[H:102])([H:84])[C@@:58]1([O:59][H:99])[H:100]>>[C@@:19]1([O:57][C@:56]2([H:98])[C@:54]([O:55][H:95])([H:96])[C@@:41]([O:42][C:43]([C:44]3:[C:45]([H:85]):[C:46]([H:86]):[C:47]([H:87]):[C:48]4:[C:49]([H:88]):[C:50]([H:89]):[C:51]([H:90]):[C:52]([H:91]):[C:53]:3:4)([H:92])[H:93])([H:94])[O:40][C@@:39]([C:38]([O:37][H:103])([H:101])[H:102])([H:84])[C@@:58]2([O:59][H:99])[H:100])([H:65])[O:20][C@@:21]([C:22]([O:23][H:66])([H:67])[H:68])([H:69])[C@@:24]([O:25][H:70])([H:71])[C@@:26]([O:27][H:72])([H:73])[C@:28]1([O:29][H:74])[H:75].[H][O:18][P:15]([O:14][P:11]([O:10][C:9]([C@@:8]1([H:78])[O:7][C@:6]([N:5]2:[C:4]([H:61]):[C:3]([H:60]):[C:2](=[O:1]):[N:36]([H:83]):[C:34]:2=[O:35])([H:62])[C@@:32]([O:33][H:81])([H:82])[C@@:30]1([O:31][H:79])[H:80])([H:76])[H:77])(=[O:12])[O:13][H:63])(=[O:16])[O:17][H:64]