EVODEX.1-P2027 - Partial Reaction

SMIRKS

[C:18]([C:19]([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](=[O:36])[S:37][C:38]([C:39]([N:40]([C:41](=[O:42])[C:43]([C:44]([N:45]([C:46](=[O:47])[C@:48]([O:49][H:85])([C:50]([C:51]([H:86])([H:87])[H:88])([C:52]([H:89])([H:90])[H:91])[C:53]([O:54][P:55](=[O:56])([O:57][H:92])[O:58][P:59](=[O:60])([O:61][H:93])[O:62][C:63]([C@@:64]1([H:94])[O:65][C@:66]([N:67]2:[C:68]([H:95]):[N:69]:[C:70]3:[C:71]([N:72]([H:96])[H:97]):[N:73]:[C:74]([H:98]):[N:75]:[C:76]:2:3)([H:99])[C@@:77]([O:78][H:100])([H:101])[C@@:79]1([O:80][P:81](=[O:82])([O:83][H:102])[O:84][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:147])([H:148])[H:149])([H:150])[H:151])([H:152])([H:153])[H:154]>>[H]C(O[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]([C:19]([C:18]([H:152])([H:153])[H:154])([H:150])[H:151])([H:148])[H:149])([H:146])[H:147])([H:144])[H:145])([H:142])[H:143])([H:140])[H:141])([H:138])[H:139])([H:136])[H:137])([H:134])[H:135])([H:132])[H:133])([H:130])[H:131])([H:128])[H:129])([H:126])[H:127])([H:124])[H:125])([H:122])[H:123])([H:120])[H:121])=[O:36])=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])[H].[H][S:37][C:38]([C:39]([N:40]([C:41](=[O:42])[C:43]([C:44]([N:45]([C:46](=[O:47])[C@:48]([O:49][H:85])([C:50]([C:51]([H:86])([H:87])[H:88])([C:52]([H:89])([H:90])[H:91])[C:53]([O:54][P:55](=[O:56])([O:57][H:92])[O:58][P:59](=[O:60])([O:61][H:93])[O:62][C:63]([C@@:64]1([H:94])[O:65][C@:66]([N:67]2:[C:68]([H:95]):[N:69]:[C:70]3:[C:71]([N:72]([H:96])[H:97]):[N:73]:[C:74]([H:98]):[N:75]:[C:76]:2:3)([H:99])[C@@:77]([O:78][H:100])([H:101])[C@@:79]1([O:80][P:81](=[O:82])([O:83][H:102])[O:84][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]

Derived Operators

EVODEX.1-F15 - Elemental Balance

O	1
C	16
H	32

EVODEX.1-M193 - Mass Difference

240.24546

EVODEX.1-E453 - Reaction Operator E

[#6:32]-[#6:33](=[#8:34])-[#16:35]-[#6:36]>>[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](=[#6](-[#8]-[#6:33](-[#6:32])=[#8:34])-[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].[#16:35](-[#6:36])-[H]

EVODEX.1-C342 - Reaction Operator C

[#6:33]-[#16:35]>>[H]-[#6](-[#8]-[#6:33])=[#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])-[H].[H]-[#16:35]

EVODEX.1-N395 - Reaction Operator N

[#6:32]-[#6:33](=[#8:34])-[#16:35]-[#6:36]>>[H]-[#6](-[#8]-[#6:33](-[#6:32])=[#8:34])=[#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])-[H].[H]-[#16:35]-[#6:36]

EVODEX.1-Em6 - Reaction Operator Em

[#6:36]-[#6:37](=[#8:38])-[#16:39]-[#6:40]>>[#6]-[#8]-[#6:37](-[#6:36])=[#8:38].[H]-[#16:39]-[#6:40]

EVODEX.1-Cm12 - Reaction Operator Cm

[#6:4]-[#16:6]>>[#8]-[#6:4].[H]-[#16:6]

EVODEX.1-Nm7 - Reaction Operator Nm

[#6:36]-[#6:37](=[#8:38])-[#16:39]-[#6:40]>>[#6]-[#8]-[#6:37](-[#6:36])=[#8:38].[H]-[#16:39]-[#6:40]

Source Full Reactions

EVODEX.1-R2671

[C:18]([C:19]([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](=[O:36])[S:37][C:38]([C:39]([N:40]([C:41](=[O:42])[C:43]([C:44]([N:45]([C:46](=[O:47])[C@:48]([O:49][H:85])([C:50]([C:51]([H:86])([H:87])[H:88])([C:52]([H:89])([H:90])[H:91])[C:53]([O:54][P:55](=[O:56])([O:57][H:92])[O:58][P:59](=[O:60])([O:61][H:93])[O:62][C:63]([C@@:64]1([H:94])[O:65][C@:66]([N:67]2:[C:68]([H:95]):[N:69]:[C:70]3:[C:71]([N:72]([H:96])[H:97]):[N:73]:[C:74]([H:98]):[N:75]:[C:76]:2:3)([H:99])[C@@:77]([O:78][H:100])([H:101])[C@@:79]1([O:80][P:81](=[O:82])([O:83][H:102])[O:84][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:147])([H:148])[H:149])([H:150])[H:151])([H:152])([H:153])[H:154].[H][O: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:184])([H:185])[H:186])([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:160])[H:161])([H:158])[H:159])[H:157])[H:156]>>[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]([O:17][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]([C:19]([C:18]([H:152])([H:153])[H:154])([H:150])[H:151])([H:148])[H:149])([H:146])[H:147])([H:144])[H:145])([H:142])[H:143])([H:140])[H:141])([H:138])[H:139])([H:136])[H:137])([H:134])[H:135])([H:132])[H:133])([H:130])[H:131])([H:128])[H:129])([H:126])[H:127])([H:124])[H:125])([H:122])[H:123])([H:120])[H:121])=[O:36])[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][S:37][C:38]([C:39]([N:40]([C:41](=[O:42])[C:43]([C:44]([N:45]([C:46](=[O:47])[C@:48]([O:49][H:85])([C:50]([C:51]([H:86])([H:87])[H:88])([C:52]([H:89])([H:90])[H:91])[C:53]([O:54][P:55](=[O:56])([O:57][H:92])[O:58][P:59](=[O:60])([O:61][H:93])[O:62][C:63]([C@@:64]1([H:94])[O:65][C@:66]([N:67]2:[C:68]([H:95]):[N:69]:[C:70]3:[C:71]([N:72]([H:96])[H:97]):[N:73]:[C:74]([H:98]):[N:75]:[C:76]:2:3)([H:99])[C@@:77]([O:78][H:100])([H:101])[C@@:79]1([O:80][P:81](=[O:82])([O:83][H:102])[O:84][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]