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EVODEX.1-P835

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2]1=[C:3]([H:62])[C:4](=[O:5])[C:6]([H:63])([H:64])[C:7]([C:8]([H:65])([H:66])[H:67])([C:9]([H:68])([H:69])[H:70])[C:10]1([C:11]([C:12]([H:71])([H:72])[H:73])([C:13]([H:74])([H:75])[H:76])[H:77])[H:78])([H:79])([H:80])[H:81]>>[H][C:2]1([C:1]([H:79])([H:80])[H:81])[C:3]([H])([H:62])[C:4](=[O:5])[C:6]([H:63])([H:64])[C:7]([C:8]([H:65])([H:66])[H:67])([C:9]([H:68])([H:69])[H:70])[C:10]1([C:11]([C:12]([H:71])([H:72])[H:73])([C:13]([H:74])([H:75])[H:76])[H:77])[H:78]

Derived Operators

EVODEX.1-F2 - Elemental Balance

H2

EVODEX.1-M3 - Mass Difference

2.01566

EVODEX.1-C36 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N33 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:4]-[#6:5](=[#6:6](-[#6:7])-[#6:10])-[H:62]>>[H]-[#6:5](-[#6:4])(-[#6:6](-[H])(-[#6:7])-[#6:10])-[H:62]

EVODEX.1-Em318 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:1]-[#6:2](=[#6:3]-[#6:4]=[#8:5])-[#6:10]>>[H]-[#6:2](-[#6:1])(-[#6:3](-[H])-[#6:4]=[#8:5])-[#6:10]

EVODEX.1-Cm62 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm70 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:4]-[#6:5]=[#6:6](-[#6:7])-[#6:10]>>[H]-[#6:5](-[#6:4])-[#6:6](-[H])(-[#6:7])-[#6:10]

Source Full Reactions

EVODEX.1-R804

Full Reaction Rendering

[C:1]([C:2]1=[C:3]([H:62])[C:4](=[O:5])[C:6]([H:63])([H:64])[C:7]([C:8]([H:65])([H:66])[H:67])([C:9]([H:68])([H:69])[H:70])[C:10]1([C:11]([C:12]([H:71])([H:72])[H:73])([C:13]([H:74])([H:75])[H:76])[H:77])[H:78])([H:79])([H:80])[H:81].[HH].[H][C:61]1([H:108])[C:17]([C:15]([N:14]([H:110])[H:111])=[O:16])=[C:18]([H:82])[N:19]([C@:20]2([H:83])[O:21][C@@:22]([C:23]([O:24][P:25](=[O:26])([O:27][H:84])[O:28][P:29](=[O:30])([O:31][H:85])[O:32][C:33]([C@@:34]3([H:86])[O:35][C@:36]([N:37]4:[C:38]([H:87]):[N:39]:[C:40]5:[C:41]([N:42]([H:88])[H:89]):[N:43]:[C:44]([H:90]):[N:45]:[C:46]:4:5)([H:91])[C@@:47]([O:48][P:49](=[O:50])([O:51][H:92])[O:52][H:93])([H:94])[C@@:53]3([O:54][H:95])[H:96])([H:97])[H:98])([H:99])[H:100])([H:101])[C@:55]([O:56][H:102])([H:103])[C@:57]2([O:58][H:104])[H:105])[C:59]([H:106])=[C:60]1[H:107]>>[H][C:2]1([C:1]([H:79])([H:80])[H:81])[C:3]([H])([H:62])[C:4](=[O:5])[C:6]([H:63])([H:64])[C:7]([C:8]([H:65])([H:66])[H:67])([C:9]([H:68])([H:69])[H:70])[C:10]1([C:11]([C:12]([H:71])([H:72])[H:73])([C:13]([H:74])([H:75])[H:76])[H:77])[H:78].[N:14]([C:15](=[O:16])[C:17]1:[C:18]([H:82]):[N+:19]([C@:20]2([H:83])[O:21][C@@:22]([C:23]([O:24][P:25](=[O:26])([O:27][H:84])[O:28][P:29](=[O:30])([O:31][H:85])[O:32][C:33]([C@@:34]3([H:86])[O:35][C@:36]([N:37]4:[C:38]([H:87]):[N:39]:[C:40]5:[C:41]([N:42]([H:88])[H:89]):[N:43]:[C:44]([H:90]):[N:45]:[C:46]:4:5)([H:91])[C@@:47]([O:48][P:49](=[O:50])([O:51][H:92])[O:52][H:93])([H:94])[C@@:53]3([O:54][H:95])[H:96])([H:97])[H:98])([H:99])[H:100])([H:101])[C@:55]([O:56][H:102])([H:103])[C@:57]2([O:58][H:104])[H:105]):[C:59]([H:106]):[C:60]([H:107]):[C:61]:1[H:108])([H:110])[H:111]