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EVODEX.1-P2005

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:23][C:22](=[C:21]([C:20]([C:19]([C:18]([C:17]([C:16]([C:15]([C:14]([C:13]([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:133])([H:134])[H:135])([H:131])[H:132])([H:129])[H:130])([H:127])[H:128])([H:125])[H:126])([H:123])[H:124])([H:121])[H:122])([H:119])[H:120])([H:117])[H:118])([H:115])[H:116])([H:113])[H:114])([H:111])[H:112])([H:109])[H:110])([H:107])[H:108])([H:105])[H:106])([H:103])[H:104])([H:101])[H:102])([H:99])[H:100])([H:97])[H:98])([H:95])[H:96])[H:94])[H:93]>>[H]O[C@@]([H])(C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)[O:23][C:22](=[C:21]([C:20]([C:19]([C:18]([C:17]([C:16]([C:15]([C:14]([C:13]([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:133])([H:134])[H:135])([H:131])[H:132])([H:129])[H:130])([H:127])[H:128])([H:125])[H:126])([H:123])[H:124])([H:121])[H:122])([H:119])[H:120])([H:117])[H:118])([H:115])[H:116])([H:113])[H:114])([H:111])[H:112])([H:109])[H:110])([H:107])[H:108])([H:105])[H:106])([H:103])[H:104])([H:101])[H:102])([H:99])[H:100])([H:97])[H:98])([H:95])[H:96])[H:94])[H:93])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]

Derived Operators

EVODEX.1-F86 - Elemental Balance

C18
O2
H32

EVODEX.1-M225 - Mass Difference

280.24036

EVODEX.1-E655 - Reaction Operator E

Reaction Operator E SMIRKS

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

EVODEX.1-C364 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8:25]>>[H]-[#8]-[#6@@](-[H])(-[#6](-[H])(-[H])-[#6](-[H])=[#6](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8:25])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H]

EVODEX.1-N417 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:25]-[#6:24]>>[H]-[#8]-[#6@@](-[H])(-[#6](-[H])(-[H])-[#6](-[H])=[#6](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8:25]-[#6:24])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H]

EVODEX.1-Em8 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#8:28]-[#6:27]>>[#6]-[#6](=[#8])-[#8:28]-[#6:27]

EVODEX.1-Cm7 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#8:28]>>[#6]-[#8:28]

EVODEX.1-Nm5 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#8:28]-[#6:27]>>[#6]-[#6](=[#8])-[#8:28]-[#6:27]

Source Full Reactions

EVODEX.1-R2657

Full Reaction Rendering

[H][O:23][C:22](=[C:21]([C:20]([C:19]([C:18]([C:17]([C:16]([C:15]([C:14]([C:13]([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:133])([H:134])[H:135])([H:131])[H:132])([H:129])[H:130])([H:127])[H:128])([H:125])[H:126])([H:123])[H:124])([H:121])[H:122])([H:119])[H:120])([H:117])[H:118])([H:115])[H:116])([H:113])[H:114])([H:111])[H:112])([H:109])[H:110])([H:107])[H:108])([H:105])[H:106])([H:103])[H:104])([H:101])[H:102])([H:99])[H:100])([H:97])[H:98])([H:95])[H:96])[H:94])[H:93].[C:24]([C:25]([C:26]([C:27]([C:28]([C:29]([C@@:30]([O:31][H:136])([C:32]([C:33](=[C:34]([C:35]([C:36]([C:37]([C:38]([C:39]([C:40]([C:41]([C:42](=[O:43])[S:44][C:45]([C:46]([N:47]([C:48](=[O:49])[C:50]([C:51]([N:52]([C:53](=[O:54])[C@:55]([O:56][H:137])([C:57]([C:58]([H:138])([H:139])[H:140])([C:59]([H:141])([H:142])[H:143])[C:60]([O:61][P:62](=[O:63])([O:64][H:144])[O:65][P:66](=[O:67])([O:68][H:145])[O:69][C:70]([C@@:71]1([H:146])[O:72][C@:73]([N:74]2:[C:75]([H:147]):[N:76]:[C:77]3:[C:78]([N:79]([H:148])[H:149]):[N:80]:[C:81]([H:150]):[N:82]:[C:83]:2:3)([H:151])[C@@:84]([O:85][H:152])([H:153])[C@@:86]1([O:87][P:88](=[O:89])([O:90][H:154])[O:91][H:155])[H:156])([H:157])[H:158])([H:159])[H:160])[H:161])[H:162])([H:163])[H:164])([H:165])[H:166])[H:167])([H:168])[H:169])([H:170])[H:171])([H:172])[H:173])([H:174])[H:175])([H:176])[H:177])([H:178])[H:179])([H:180])[H:181])([H:182])[H:183])([H:184])[H:185])[H:186])[H:187])([H:188])[H:189])[H:190])([H:191])[H:192])([H:193])[H:194])([H:195])[H:196])([H:197])[H:198])([H:199])[H:200])([H:201])([H:202])[H:203]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12]([C:13]([C:14]([C:15]([C:16]([C:17]([C:18]([C:19]([C:20]([C:21](=[C:22]([O:23][C:42]([C:41]([C:40]([C:39]([C:38]([C:37]([C:36]([C:35]([C:34](=[C:33]([C:32]([C@@:30]([C:29]([C:28]([C:27]([C:26]([C:25]([C:24]([H:201])([H:202])[H:203])([H:199])[H:200])([H:197])[H:198])([H:195])[H:196])([H:193])[H:194])([H:191])[H:192])([O:31][H:136])[H:190])([H:188])[H:189])[H:187])[H:186])([H:184])[H:185])([H:182])[H:183])([H:180])[H:181])([H:178])[H:179])([H:176])[H:177])([H:174])[H:175])([H:172])[H:173])=[O:43])[H:93])[H:94])([H:95])[H:96])([H:97])[H:98])([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:117])[H:118])([H:119])[H:120])([H:121])[H:122])([H:123])[H:124])([H:125])[H:126])([H:127])[H:128])([H:129])[H:130])([H:131])[H:132])([H:133])([H:134])[H:135].[H][S:44][C:45]([C:46]([N:47]([C:48](=[O:49])[C:50]([C:51]([N:52]([C:53](=[O:54])[C@:55]([O:56][H:137])([C:57]([C:58]([H:138])([H:139])[H:140])([C:59]([H:141])([H:142])[H:143])[C:60]([O:61][P:62](=[O:63])([O:64][H:144])[O:65][P:66](=[O:67])([O:68][H:145])[O:69][C:70]([C@@:71]1([H:146])[O:72][C@:73]([N:74]2:[C:75]([H:147]):[N:76]:[C:77]3:[C:78]([N:79]([H:148])[H:149]):[N:80]:[C:81]([H:150]):[N:82]:[C:83]:2:3)([H:151])[C@@:84]([O:85][H:152])([H:153])[C@@:86]1([O:87][P:88](=[O:89])([O:90][H:154])[O:91][H:155])[H:156])([H:157])[H:158])([H:159])[H:160])[H:161])[H:162])([H:163])[H:164])([H:165])[H:166])[H:167])([H:168])[H:169])([H:170])[H:171]