EVODEX.1-P2047 - 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](=[O:15])[S:16][C:17]([C:18]([N:19]([C:20](=[O:21])[C:22]([C:23]([N:24]([C:25](=[O:26])[C@:27]([O:28][H:83])([C:29]([C:30]([H:84])([H:85])[H:86])([C:31]([H:87])([H:88])[H:89])[C:32]([O:33][P:34](=[O:35])([O:36][H:90])[O:37][P:38](=[O:39])([O:40][H:91])[O:41][C:42]([C@@:43]1([H:92])[O:44][C@:45]([N:46]2:[C:47]([H:93]):[N:48]:[C:49]3:[C:50]([N:51]([H:94])[H:95]):[N:52]:[C:53]([H:96]):[N:54]:[C:55]:2:3)([H:97])[C@@:56]([O:57][H:98])([H:99])[C@@:58]1([O:59][P:60](=[O:61])([O:62][H:100])[O:63][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]C(O[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:142])([H:143])[H:144])([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:15])=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])[H].[H][S:16][C:17]([C:18]([N:19]([C:20](=[O:21])[C:22]([C:23]([N:24]([C:25](=[O:26])[C@:27]([O:28][H:83])([C:29]([C:30]([H:84])([H:85])[H:86])([C:31]([H:87])([H:88])[H:89])[C:32]([O:33][P:34](=[O:35])([O:36][H:90])[O:37][P:38](=[O:39])([O:40][H:91])[O:41][C:42]([C@@:43]1([H:92])[O:44][C@:45]([N:46]2:[C:47]([H:93]):[N:48]:[C:49]3:[C:50]([N:51]([H:94])[H:95]):[N:52]:[C:53]([H:96]):[N:54]:[C:55]:2:3)([H:97])[C@@:56]([O:57][H:98])([H:99])[C@@:58]1([O:59][P:60](=[O:61])([O:62][H:100])[O:63][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-F25 - Elemental Balance

O	1
C	18
H	36

EVODEX.1-M199 - Mass Difference

268.27678000000003

EVODEX.1-E466 - Reaction Operator E

[#6:15]-[#6:16](=[#8:17])-[#16:18]-[#6:19]>>[#6:15]-[#6:16](=[#8:17])-[#8]-[#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])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])-[H])-[H].[#16:18](-[#6:19])-[H]

EVODEX.1-C353 - Reaction Operator C

[#6:14]-[#16:16]>>[H]-[#6](-[#8]-[#6:14])=[#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])-[H].[H]-[#16:16]

EVODEX.1-N406 - Reaction Operator N

[#6:13]-[#6:14](=[#8:15])-[#16:16]-[#6:17]>>[H]-[#6](-[#8]-[#6:14](-[#6:13])=[#8:15])=[#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])-[H].[H]-[#16:16]-[#6:17]

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-R2685

[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](=[O:15])[S:16][C:17]([C:18]([N:19]([C:20](=[O:21])[C:22]([C:23]([N:24]([C:25](=[O:26])[C@:27]([O:28][H:83])([C:29]([C:30]([H:84])([H:85])[H:86])([C:31]([H:87])([H:88])[H:89])[C:32]([O:33][P:34](=[O:35])([O:36][H:90])[O:37][P:38](=[O:39])([O:40][H:91])[O:41][C:42]([C@@:43]1([H:92])[O:44][C@:45]([N:46]2:[C:47]([H:93]):[N:48]:[C:49]3:[C:50]([N:51]([H:94])[H:95]):[N:52]:[C:53]([H:96]):[N:54]:[C:55]:2:3)([H:97])[C@@:56]([O:57][H:98])([H:99])[C@@:58]1([O:59][P:60](=[O:61])([O:62][H:100])[O:63][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][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]([C:65]([C:64]([H:178])([H:179])[H:180])([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:148])[H:149])[H:147])[H:146]>>[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](=[O:15])[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]([C:65]([C:64]([H:178])([H:179])[H:180])([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:148])[H:149])[H:147])[H:146])([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][S:16][C:17]([C:18]([N:19]([C:20](=[O:21])[C:22]([C:23]([N:24]([C:25](=[O:26])[C@:27]([O:28][H:83])([C:29]([C:30]([H:84])([H:85])[H:86])([C:31]([H:87])([H:88])[H:89])[C:32]([O:33][P:34](=[O:35])([O:36][H:90])[O:37][P:38](=[O:39])([O:40][H:91])[O:41][C:42]([C@@:43]1([H:92])[O:44][C@:45]([N:46]2:[C:47]([H:93]):[N:48]:[C:49]3:[C:50]([N:51]([H:94])[H:95]):[N:52]:[C:53]([H:96]):[N:54]:[C:55]:2:3)([H:97])[C@@:56]([O:57][H:98])([H:99])[C@@:58]1([O:59][P:60](=[O:61])([O:62][H:100])[O:63][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]