EVODEX.1-P1672 - Partial Reaction

SMIRKS

[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])[S:18][C:19]([C:20]([N:21]([C:22](=[O:23])[C:24]([C:25]([N:26]([C:27](=[O:28])[C@:29]([O:30][H:83])([C:31]([C:32]([H:84])([H:85])[H:86])([C:33]([H:87])([H:88])[H:89])[C:34]([O:35][P:36](=[O:37])([O:38][H:90])[O:39][P:40](=[O:41])([O:42][H:91])[O:43][C:44]([C@@:45]1([H:92])[O:46][C@:47]([N:48]2:[C:49]([H:93]):[N:50]:[C:51]3:[C:52]([N:53]([H:94])[H:95]):[N:54]:[C:55]([H:96]):[N:56]:[C:57]:2:3)([H:97])[C@@:58]([O:59][H:98])([H:99])[C@@:60]1([O:61][P:62](=[O:63])([O:64][H:100])[O:65][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:147])[H:148]>>[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])O[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:146])([H:147])[H:148])([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])([H:118])[H:119])=[O:17].[H][S:18][C:19]([C:20]([N:21]([C:22](=[O:23])[C:24]([C:25]([N:26]([C:27](=[O:28])[C@:29]([O:30][H:83])([C:31]([C:32]([H:84])([H:85])[H:86])([C:33]([H:87])([H:88])[H:89])[C:34]([O:35][P:36](=[O:37])([O:38][H:90])[O:39][P:40](=[O:41])([O:42][H:91])[O:43][C:44]([C@@:45]1([H:92])[O:46][C@:47]([N:48]2:[C:49]([H:93]):[N:50]:[C:51]3:[C:52]([N:53]([H:94])[H:95]):[N:54]:[C:55]([H:96]):[N:56]:[C:57]:2:3)([H:97])[C@@:58]([O:59][H:98])([H:99])[C@@:60]1([O:61][P:62](=[O:63])([O:64][H:100])[O:65][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]

Derived Operators

EVODEX.1-F339 - Elemental Balance

O	1
C	16
H	34

EVODEX.1-M348 - Mass Difference

242.26112

EVODEX.1-E1126 - Reaction Operator E

[#6:7]-[#6:8](=[#8:9])-[#16:10]-[#6:11]>>[#6:7]-[#6:8](=[#8:9])-[#8]-[#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])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H].[#16:10](-[#6:11])-[H]

EVODEX.1-C312 - Reaction Operator C

[#6:20]-[#16:22]>>[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])-[#8]-[#6:20].[H]-[#16:22]

EVODEX.1-N362 - Reaction Operator N

[#6:19]-[#6:20](=[#8:21])-[#16:22]-[#6:23]>>[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])-[#8]-[#6:20](-[#6:19])=[#8:21].[H]-[#16:22]-[#6:23]

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-R2218

[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])[S:18][C:19]([C:20]([N:21]([C:22](=[O:23])[C:24]([C:25]([N:26]([C:27](=[O:28])[C@:29]([O:30][H:83])([C:31]([C:32]([H:84])([H:85])[H:86])([C:33]([H:87])([H:88])[H:89])[C:34]([O:35][P:36](=[O:37])([O:38][H:90])[O:39][P:40](=[O:41])([O:42][H:91])[O:43][C:44]([C@@:45]1([H:92])[O:46][C@:47]([N:48]2:[C:49]([H:93]):[N:50]:[C:51]3:[C:52]([N:53]([H:94])[H:95]):[N:54]:[C:55]([H:96]):[N:56]:[C:57]:2:3)([H:97])[C@@:58]([O:59][H:98])([H:99])[C@@:60]1([O:61][P:62](=[O:63])([O:64][H:100])[O:65][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:147])[H:148].[H][O:82][C:81]([C:80]([C:79]([C:78]([C:77]([C:76]([C:75]([C:74]([C:73]([C:72]([C:71]([C:70]([C:69]([C:68]([C:67]([C:66]([H:180])([H:181])[H:182])([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:156])[H:157])([H:154])[H:155])([H:152])[H:153])([H:150])[H:151]>>[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])[O:82][C:81]([C:80]([C:79]([C:78]([C:77]([C:76]([C:75]([C:74]([C:73]([C:72]([C:71]([C:70]([C:69]([C:68]([C:67]([C:66]([H:180])([H:181])[H:182])([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:156])[H:157])([H:154])[H:155])([H:152])[H:153])([H:150])[H:151])([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][S:18][C:19]([C:20]([N:21]([C:22](=[O:23])[C:24]([C:25]([N:26]([C:27](=[O:28])[C@:29]([O:30][H:83])([C:31]([C:32]([H:84])([H:85])[H:86])([C:33]([H:87])([H:88])[H:89])[C:34]([O:35][P:36](=[O:37])([O:38][H:90])[O:39][P:40](=[O:41])([O:42][H:91])[O:43][C:44]([C@@:45]1([H:92])[O:46][C@:47]([N:48]2:[C:49]([H:93]):[N:50]:[C:51]3:[C:52]([N:53]([H:94])[H:95]):[N:54]:[C:55]([H:96]):[N:56]:[C:57]:2:3)([H:97])[C@@:58]([O:59][H:98])([H:99])[C@@:60]1([O:61][P:62](=[O:63])([O:64][H:100])[O:65][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]