EVODEX.1-P1717 - Partial Reaction

SMIRKS

[H][O:76][C:75]([C:74]([C:73]([C:72]([C:71]([C:70]([C:69]([C:68]([H:162])([H:163])[H:164])([H:160])[H:161])([H:158])[H:159])([H:156])[H:157])([H:154])[H:155])([H:152])[H:153])([H:150])[H:151])([H:148])[H:149]>>[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])C(=O)[O:76][C:75]([C:74]([C:73]([C:72]([C:71]([C:70]([C:69]([C:68]([H:162])([H:163])[H:164])([H:160])[H:161])([H:158])[H:159])([H:156])[H:157])([H:154])[H:155])([H:152])[H:153])([H:150])[H:151])([H:148])[H:149]

Derived Operators

EVODEX.1-F26 - Elemental Balance

C	18
O	1
H	34

EVODEX.1-M548 - Mass Difference

266.26112

EVODEX.1-E467 - Reaction Operator E

[#6:22]-[#8:23]-[H]>>[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](=[#8])-[#8:23]-[#6:22])(-[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-C319 - Reaction Operator C

[H]-[#8:88]>>[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])-[#6](=[#8])-[#8:88]

EVODEX.1-N370 - Reaction Operator N

[H]-[#8:88]-[#6:87]>>[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])-[#6](=[#8])-[#8:88]-[#6:87]

EVODEX.1-Em8 - Reaction Operator Em

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

EVODEX.1-Cm7 - Reaction Operator Cm

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

EVODEX.1-Nm5 - Reaction Operator Nm

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

Source Full Reactions

EVODEX.1-R2291

[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])[S:20][C:21]([C:22]([N:23]([C:24](=[O:25])[C:26]([C:27]([N:28]([C:29](=[O:30])[C@:31]([O:32][H:77])([C:33]([C:34]([H:78])([H:79])[H:80])([C:35]([H:81])([H:82])[H:83])[C:36]([O:37][P:38](=[O:39])([O:40][H:84])[O:41][P:42](=[O:43])([O:44][H:85])[O:45][C:46]([C@@:47]1([H:86])[O:48][C@:49]([N:50]2:[C:51]([H:87]):[N:52]:[C:53]3:[C:54]([N:55]([H:88])[H:89]):[N:56]:[C:57]([H:90]):[N:58]:[C:59]:2:3)([H:91])[C@@:60]([O:61][H:92])([H:93])[C@@:62]1([O:63][P:64](=[O:65])([O:66][H:94])[O:67][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:136])[H:137])([H:138])[H:139])([H:140])[H:141])([H:142])[H:143])([H:144])([H:145])[H:146].[H][O:76][C:75]([C:74]([C:73]([C:72]([C:71]([C:70]([C:69]([C:68]([H:162])([H:163])[H:164])([H:160])[H:161])([H:158])[H:159])([H:156])[H:157])([H:154])[H:155])([H:152])[H:153])([H:150])[H:151])([H:148])[H:149]>>[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])[O:76][C:75]([C:74]([C:73]([C:72]([C:71]([C:70]([C:69]([C:68]([H:162])([H:163])[H:164])([H:160])[H:161])([H:158])[H:159])([H:156])[H:157])([H:154])[H:155])([H:152])[H:153])([H:150])[H:151])([H:148])[H:149])([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:136])[H:137])([H:138])[H:139])([H:140])[H:141])([H:142])[H:143])([H:144])([H:145])[H:146].[H][S:20][C:21]([C:22]([N:23]([C:24](=[O:25])[C:26]([C:27]([N:28]([C:29](=[O:30])[C@:31]([O:32][H:77])([C:33]([C:34]([H:78])([H:79])[H:80])([C:35]([H:81])([H:82])[H:83])[C:36]([O:37][P:38](=[O:39])([O:40][H:84])[O:41][P:42](=[O:43])([O:44][H:85])[O:45][C:46]([C@@:47]1([H:86])[O:48][C@:49]([N:50]2:[C:51]([H:87]):[N:52]:[C:53]3:[C:54]([N:55]([H:88])[H:89]):[N:56]:[C:57]([H:90]):[N:58]:[C:59]:2:3)([H:91])[C@@:60]([O:61][H:92])([H:93])[C@@:62]1([O:63][P:64](=[O:65])([O:66][H:94])[O:67][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]