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EVODEX.1-P1872

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O: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:122])([H:123])[H:124])([H:120])[H:121])([H:118])[H:119])([H:116])[H:117])([H:114])[H:115])([H:112])[H:113])([H:110])[H:111])([H:108])[H:109])([H:106])[H:107])([H:104])[H:105])([H:102])[H:103])([H:100])[H:101])([H:98])[H:99])([H:96])[H:97])([H:94])[H:95])([H:92])[H:93])[H:91])[H:90]>>[H]C(C(=O)[O: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:122])([H:123])[H:124])([H:120])[H:121])([H:118])[H:119])([H:116])[H:117])([H:114])[H:115])([H:112])[H:113])([H:110])[H:111])([H:108])[H:109])([H:106])[H:107])([H:104])[H:105])([H:102])[H:103])([H:100])[H:101])([H:98])[H:99])([H:96])[H:97])([H:94])[H:95])([H:92])[H:93])[H:91])[H:90])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]

Derived Operators

EVODEX.1-F105 - Elemental Balance

O1
C20
H36

EVODEX.1-M235 - Mass Difference

292.27678000000003

EVODEX.1-E690 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:81]-[#8:82]-[H]>>[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](=[#6](-[#6](=[#8])-[#8:82]-[#6:81])-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])(-[H])-[H]

EVODEX.1-C340 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8:84]>>[H]-[#6](-[#6](=[#8])-[#8:84])=[#6](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H]

EVODEX.1-N393 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:84]-[#6:83]>>[H]-[#6](-[#6](=[#8])-[#8:84]-[#6:83])=[#6](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H]

EVODEX.1-Em42 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#8:17]-[#6:18]>>[#6]=[#6]-[#6](=[#8])-[#8:17]-[#6:18]

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-R2567

Full Reaction Rendering

[H][O: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:122])([H:123])[H:124])([H:120])[H:121])([H:118])[H:119])([H:116])[H:117])([H:114])[H:115])([H:112])[H:113])([H:110])[H:111])([H:108])[H:109])([H:106])[H:107])([H:104])[H:105])([H:102])[H:103])([H:100])[H:101])([H:98])[H:99])([H:96])[H:97])([H:94])[H:95])([H:92])[H:93])[H:91])[H:90].[C:20]([C:21]([C:22]([C:23]([C:24]([C:25]([C:26]([C:27]([C:28]([C:29]([C:30]([C:31]([C:32]([C:33]([C:34]([C:35]([C:36]([C:37](=[C:38]([C:39](=[O:40])[S:41][C:42]([C:43]([N:44]([C:45](=[O:46])[C:47]([C:48]([N:49]([C:50](=[O:51])[C@:52]([O:53][H:125])([C:54]([C:55]([H:126])([H:127])[H:128])([C:56]([H:129])([H:130])[H:131])[C:57]([O:58][P:59](=[O:60])([O:61][H:132])[O:62][P:63](=[O:64])([O:65][H:133])[O:66][C:67]([C@@:68]1([H:134])[O:69][C@:70]([N:71]2:[C:72]([H:135]):[N:73]:[C:74]3:[C:75]([N:76]([H:136])[H:137]):[N:77]:[C:78]([H:138]):[N:79]:[C:80]:2:3)([H:139])[C@@:81]([O:82][H:140])([H:141])[C@@:83]1([O:84][P:85](=[O:86])([O:87][H:142])[O:88][H:143])[H:144])([H:145])[H:146])([H:147])[H:148])[H:149])[H:150])([H:151])[H:152])([H:153])[H:154])[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]>>[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]([O:19][C:39]([C:38](=[C:37]([C:36]([C:35]([C:34]([C:33]([C:32]([C:31]([C:30]([C:29]([C:28]([C:27]([C:26]([C:25]([C:24]([C:23]([C:22]([C:21]([C:20]([H:194])([H:195])[H:196])([H:192])[H:193])([H:190])[H:191])([H:188])[H:189])([H:186])[H:187])([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])([H:170])[H:171])([H:168])[H:169])([H:166])[H:167])([H:164])[H:165])([H:162])[H:163])[H:161])[H:160])=[O:40])[H:90])[H:91])([H:92])[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][S:41][C:42]([C:43]([N:44]([C:45](=[O:46])[C:47]([C:48]([N:49]([C:50](=[O:51])[C@:52]([O:53][H:125])([C:54]([C:55]([H:126])([H:127])[H:128])([C:56]([H:129])([H:130])[H:131])[C:57]([O:58][P:59](=[O:60])([O:61][H:132])[O:62][P:63](=[O:64])([O:65][H:133])[O:66][C:67]([C@@:68]1([H:134])[O:69][C@:70]([N:71]2:[C:72]([H:135]):[N:73]:[C:74]3:[C:75]([N:76]([H:136])[H:137]):[N:77]:[C:78]([H:138]):[N:79]:[C:80]:2:3)([H:139])[C@@:81]([O:82][H:140])([H:141])[C@@:83]1([O:84][P:85](=[O:86])([O:87][H:142])[O:88][H:143])[H:144])([H:145])[H:146])([H:147])[H:148])[H:149])[H:150])([H:151])[H:152])([H:153])[H:154])[H:155])([H:156])[H:157])([H:158])[H:159]