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EVODEX.1-P806

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:76])([H:77])[H:78])([H:74])[H:75])([H:72])[H:73])([H:70])[H:71])([H:68])[H:69])([H:66])[H:67])([H:64])[H:65])([H:62])[H:63])([O:10][H:57])[C:11]([H])([O:12][H:58])[H:59]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([O:10][H:57])=[C:11]([O:12][H:58])[H:59])([H:62])[H:63])([H:64])[H:65])([H:66])[H:67])([H:68])[H:69])([H:70])[H:71])([H:72])[H:73])([H:74])[H:75])([H:76])([H:77])[H:78]

Derived Operators

EVODEX.1-F4 - Elemental Balance

H-2

EVODEX.1-M5 - Mass Difference

-2.01566

EVODEX.1-E55 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:5]-[#6:6](-[#8:7])(-[#6:8](-[#8:9])(-[H:62])-[H])-[H]>>[#6:5]-[#6:6](-[#8:7])=[#6:8](-[#8:9])-[H:62]

EVODEX.1-C34 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:5]-[#6@:6]-[H]>>[#6:5]=[#6:6]

EVODEX.1-N109 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:6](-[#6:5])(-[#8:7])-[#6:8](-[H])(-[#8:9])-[H:62]>>[#6:5]-[#6:6](-[#8:7])=[#6:8](-[#8:9])-[H:62]

EVODEX.1-Em171 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:6](-[#6:5])(-[#8:7])-[#6:8](-[H])-[#8:9]>>[#6:5]-[#6:6](-[#8:7])=[#6:8]-[#8:9]

EVODEX.1-Cm61 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:5]-[#6:6]-[H]>>[#6:5]=[#6:6]

EVODEX.1-Nm185 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:6](-[#6:5])(-[#8:7])-[#6:8](-[H])-[#8:9]>>[#6:5]-[#6:6](-[#8:7])=[#6:8]-[#8:9]

Source Full Reactions

EVODEX.1-R768

Full Reaction Rendering

[H][C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:76])([H:77])[H:78])([H:74])[H:75])([H:72])[H:73])([H:70])[H:71])([H:68])[H:69])([H:66])[H:67])([H:64])[H:65])([H:62])[H:63])([O:10][H:57])[C:11]([H])([O:12][H:58])[H:59].[N:13]([C:14](=[O:15])[C:16]1:[C:17]([H:79]):[C:18]([H:80]):[C:19]([H:81]):[N+:20]([C@:21]2([H:82])[O:22][C@@:23]([C:24]([O:25][P:26](=[O:27])([O:28][H:83])[O:29][P:30](=[O:31])([O:32][H:84])[O:33][C:34]([C@@:35]3([H:85])[O:36][C@:37]([N:38]4:[C:39]([H:86]):[N:40]:[C:41]5:[C:42]([N:43]([H:87])[H:88]):[N:44]:[C:45]([H:89]):[N:46]:[C:47]:4:5)([H:90])[C@@:48]([O:49][H:91])([H:92])[C@@:50]3([O:51][H:93])[H:94])([H:95])[H:96])([H:97])[H:98])([H:99])[C@:52]([O:53][H:100])([H:101])[C@:54]2([O:55][H:102])[H:103]):[C:56]:1[H:104])([H:105])[H:106]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([O:10][H:57])=[C:11]([O:12][H:58])[H:59])([H:62])[H:63])([H:64])[H:65])([H:66])[H:67])([H:68])[H:69])([H:70])[H:71])([H:72])[H:73])([H:74])[H:75])([H:76])([H:77])[H:78].[HH].[H][C:17]1([H:79])[C:16]([C:14]([N:13]([H:105])[H:106])=[O:15])=[C:56]([H:104])[N:20]([C@:21]2([H:82])[O:22][C@@:23]([C:24]([O:25][P:26](=[O:27])([O:28][H:83])[O:29][P:30](=[O:31])([O:32][H:84])[O:33][C:34]([C@@:35]3([H:85])[O:36][C@:37]([N:38]4:[C:39]([H:86]):[N:40]:[C:41]5:[C:42]([N:43]([H:87])[H:88]):[N:44]:[C:45]([H:89]):[N:46]:[C:47]:4:5)([H:90])[C@@:48]([O:49][H:91])([H:92])[C@@:50]3([O:51][H:93])[H:94])([H:95])[H:96])([H:97])[H:98])([H:99])[C@:52]([O:53][H:100])([H:101])[C@:54]2([O:55][H:102])[H:103])[C:19]([H:81])=[C:18]1[H:80]