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EVODEX.1-P1775

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:52]([C:53]([C:54]([C:55]([C:56]([C:57]([C:58]([C:59]([N:60]([H:99])[H:100])([H:101])[H:102])([H:103])[H:104])([H:105])[H:106])([H:107])[H:108])([H:109])[H:110])([H:111])[H:112])([H:113])[H:114])([H:115])[H:116]>>[H]C([H])([H])C(=O)[C:52]([C:53]([C:54]([C:55]([C:56]([C:57]([C:58]([C:59]([N:60]([H:99])[H:100])([H:101])[H:102])([H:103])[H:104])([H:105])[H:106])([H:107])[H:108])([H:109])[H:110])([H:111])[H:112])([H:113])[H:114])([H:115])[H:116]

Derived Operators

EVODEX.1-F50 - Elemental Balance

O1
C2
H2

EVODEX.1-M16 - Mass Difference

42.01056

EVODEX.1-E557 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:55](-[#6:56])(-[H:100])(-[H:101])-[H]>>[#6](-[#6](=[#8])-[#6:55](-[#6:56])(-[H:100])-[H:101])(-[H])(-[H])-[H]

EVODEX.1-C318 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:1]>>[H]-[#6](-[H])(-[H])-[#6](=[#8])-[#6:1]

EVODEX.1-N368 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:1](-[#6:2])(-[H:111])-[H:112]>>[H]-[#6](-[H])(-[H])-[#6](=[#8])-[#6:1](-[#6:2])(-[H:111])-[H:112]

EVODEX.1-Em456 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:1]-[#6:2]>>[#6]-[#6](=[#8])-[#6:1]-[#6:2]

EVODEX.1-Cm51 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm409 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:1]-[#6:2]>>[#6]-[#6](=[#8])-[#6:1]-[#6:2]

Source Full Reactions

EVODEX.1-R2439

Full Reaction Rendering

[C:1]([C:2](=[O:3])[S:4][C:5]([C:6]([N:7]([C:8](=[O:9])[C:10]([C:11]([N:12]([C:13](=[O:14])[C@:15]([O:16][H:61])([C:17]([C:18]([H:62])([H:63])[H:64])([C:19]([H:65])([H:66])[H:67])[C:20]([O:21][P:22](=[O:23])([O:24][H:68])[O:25][P:26](=[O:27])([O:28][H:69])[O:29][C:30]([C@@:31]1([H:70])[O:32][C@:33]([N:34]2:[C:35]([H:71]):[N:36]:[C:37]3:[C:38]([N:39]([H:72])[H:73]):[N:40]:[C:41]([H:74]):[N:42]:[C:43]:2:3)([H:75])[C@@:44]([O:45][H:76])([H:77])[C@@:46]1([O:47][P:48](=[O:49])([O:50][H:78])[O:51][H:79])[H:80])([H:81])[H:82])([H:83])[H:84])[H:85])[H:86])([H:87])[H:88])([H:89])[H:90])[H:91])([H:92])[H:93])([H:94])[H:95])([H:96])([H:97])[H:98].[H][C:52]([C:53]([C:54]([C:55]([C:56]([C:57]([C:58]([C:59]([N:60]([H:99])[H:100])([H:101])[H:102])([H:103])[H:104])([H:105])[H:106])([H:107])[H:108])([H:109])[H:110])([H:111])[H:112])([H:113])[H:114])([H:115])[H:116]>>[C:1]([C:2](=[O:3])[C:52]([C:53]([C:54]([C:55]([C:56]([C:57]([C:58]([C:59]([N:60]([H:99])[H:100])([H:101])[H:102])([H:103])[H:104])([H:105])[H:106])([H:107])[H:108])([H:109])[H:110])([H:111])[H:112])([H:113])[H:114])([H:115])[H:116])([H:96])([H:97])[H:98].[H][S:4][C:5]([C:6]([N:7]([C:8](=[O:9])[C:10]([C:11]([N:12]([C:13](=[O:14])[C@:15]([O:16][H:61])([C:17]([C:18]([H:62])([H:63])[H:64])([C:19]([H:65])([H:66])[H:67])[C:20]([O:21][P:22](=[O:23])([O:24][H:68])[O:25][P:26](=[O:27])([O:28][H:69])[O:29][C:30]([C@@:31]1([H:70])[O:32][C@:33]([N:34]2:[C:35]([H:71]):[N:36]:[C:37]3:[C:38]([N:39]([H:72])[H:73]):[N:40]:[C:41]([H:74]):[N:42]:[C:43]:2:3)([H:75])[C@@:44]([O:45][H:76])([H:77])[C@@:46]1([O:47][P:48](=[O:49])([O:50][H:78])[O:51][H:79])[H:80])([H:81])[H:82])([H:83])[H:84])[H:85])[H:86])([H:87])[H:88])([H:89])[H:90])[H:91])([H:92])[H:93])([H:94])[H:95]