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EVODEX.1-P64

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](=[O:10])[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][C:9]([C:8](=[C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:72])([H:73])[H:74])([H:70])[H:71])([H:68])[H:69])([H:66])[H:67])([H:64])[H:65])([H:62])[H:63])[H:61])[H:60])([O:10][H])[H:59]

Derived Operators

EVODEX.1-F2 - Elemental Balance

H2

EVODEX.1-M3 - Mass Difference

2.01566

EVODEX.1-C9 - Reaction Operator C

Reaction Operator C SMIRKS

[#8:49]=[#6:50]>>[H]-[#8:49]-[#6:50]-[H]

EVODEX.1-N89 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:8]-[#6:9](=[#8:10])-[H:55]>>[H]-[#6:9](-[#6:8])(-[#8:10]-[H])-[H:55]

EVODEX.1-Em155 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:7]=[#6:8]-[#6:9]=[#8:10]>>[H]-[#6:9](-[#6:8]=[#6:7])-[#8:10]-[H]

EVODEX.1-Cm28 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#8:49]=[#6:50]>>[H]-[#8:49]-[#6:50]-[H]

EVODEX.1-Nm52 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:13]-[#6:14]=[#8:15]>>[H]-[#6:14](-[#6:13])-[#8:15]-[H]

Source Full Reactions

EVODEX.1-R80

Full Reaction Rendering

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