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EVODEX.1-P692

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12](=[O:13])[O:14][H:59])([H:60])[H:61])([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])[H:79])([H:80])([H:81])[H:82]>>[H][C:12]([C:11]([C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:80])([H:81])[H:82])([H:78])[H:79])([H:76])[H:77])([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])([H:60])[H:61])=[O:13].[H][O:14][H:59]

Derived Operators

EVODEX.1-F2 - Elemental Balance

H2

EVODEX.1-M3 - Mass Difference

2.01566

EVODEX.1-E6 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:6]-[#6:7](=[#8:8])-[#8:9]-[H:16]>>[#6:6]-[#6:7](=[#8:8])-[H].[#8:9](-[H:16])-[H]

EVODEX.1-C229 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:10]-[#8:12]>>[H]-[#6:10].[H]-[#8:12]

EVODEX.1-N212 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:9]-[#6:10](=[#8:11])-[#8:12]-[H:20]>>[H]-[#6:10](-[#6:9])=[#8:11].[H]-[#8:12]-[H:20]

EVODEX.1-Em305 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:9]-[#6:10](=[#8:11])-[#8:12]>>[H]-[#6:10](-[#6:9])=[#8:11].[H]-[#8:12]

EVODEX.1-Cm213 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:10]-[#8:12]>>[H]-[#6:10].[H]-[#8:12]

EVODEX.1-Nm298 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:9]-[#6:10](=[#8:11])-[#8:12]>>[H]-[#6:10](-[#6:9])=[#8:11].[H]-[#8:12]

Source Full Reactions

EVODEX.1-R647

Full Reaction Rendering

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