EVODEX.1-P2010 - Partial Reaction

SMIRKS

[C:18]([C:19]([C:20]([C:21]([C:22]([C:23]([C@@:24]([O:25][H:86])([C:26]([C:27](=[C:28]([C:29]([C:30]([C:31]([C:32]([C:33]([C:34]([C:35]([C:36](=[O:37])[S:38][C:39]([C:40]([N:41]([C:42](=[O:43])[C:44]([C:45]([N:46]([C:47](=[O:48])[C@:49]([O:50][H:87])([C:51]([C:52]([H:88])([H:89])[H:90])([C:53]([H:91])([H:92])[H:93])[C:54]([O:55][P:56](=[O:57])([O:58][H:94])[O:59][P:60](=[O:61])([O:62][H:95])[O:63][C:64]([C@@:65]1([H:96])[O:66][C@:67]([N:68]2:[C:69]([H:97]):[N:70]:[C:71]3:[C:72]([N:73]([H:98])[H:99]):[N:74]:[C:75]([H:100]):[N:76]:[C:77]:2:3)([H:101])[C@@:78]([O:79][H:102])([H:103])[C@@:80]1([O:81][P:82](=[O:83])([O:84][H:104])[O:85][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]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:36]([C:35]([C:34]([C:33]([C:32]([C:31]([C:30]([C:29]([C:28](=[C:27]([C:26]([C@@:24]([C:23]([C:22]([C:21]([C:20]([C:19]([C:18]([H:151])([H:152])[H:153])([H:149])[H:150])([H:147])[H:148])([H:145])[H:146])([H:143])[H:144])([H:141])[H:142])([O:25][H:86])[H:140])([H:138])[H:139])[H:137])[H:136])([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])=[O:37].[H][S:38][C:39]([C:40]([N:41]([C:42](=[O:43])[C:44]([C:45]([N:46]([C:47](=[O:48])[C@:49]([O:50][H:87])([C:51]([C:52]([H:88])([H:89])[H:90])([C:53]([H:91])([H:92])[H:93])[C:54]([O:55][P:56](=[O:57])([O:58][H:94])[O:59][P:60](=[O:61])([O:62][H:95])[O:63][C:64]([C@@:65]1([H:96])[O:66][C@:67]([N:68]2:[C:69]([H:97]):[N:70]:[C:71]3:[C:72]([N:73]([H:98])[H:99]):[N:74]:[C:75]([H:100]):[N:76]:[C:77]:2:3)([H:101])[C@@:78]([O:79][H:102])([H:103])[C@@:80]1([O:81][P:82](=[O:83])([O:84][H:104])[O:85][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]

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-R2660

[C:18]([C:19]([C:20]([C:21]([C:22]([C:23]([C@@:24]([O:25][H:86])([C:26]([C:27](=[C:28]([C:29]([C:30]([C:31]([C:32]([C:33]([C:34]([C:35]([C:36](=[O:37])[S:38][C:39]([C:40]([N:41]([C:42](=[O:43])[C:44]([C:45]([N:46]([C:47](=[O:48])[C@:49]([O:50][H:87])([C:51]([C:52]([H:88])([H:89])[H:90])([C:53]([H:91])([H:92])[H:93])[C:54]([O:55][P:56](=[O:57])([O:58][H:94])[O:59][P:60](=[O:61])([O:62][H:95])[O:63][C:64]([C@@:65]1([H:96])[O:66][C@:67]([N:68]2:[C:69]([H:97]):[N:70]:[C:71]3:[C:72]([N:73]([H:98])[H:99]):[N:74]:[C:75]([H:100]):[N:76]:[C:77]:2:3)([H:101])[C@@:78]([O:79][H:102])([H:103])[C@@:80]1([O:81][P:82](=[O:83])([O:84][H:104])[O:85][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][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:185])([H:186])[H:187])([H:183])[H:184])([H:181])[H:182])([H:179])[H:180])([H:177])[H:178])([H:175])[H:176])([H:173])[H:174])([H:171])[H:172])([H:169])[H:170])([H:167])[H:168])([H:165])[H:166])([H:163])[H:164])([H:161])[H:162])([H:159])[H:160])([H:157])[H:158])([H:155])[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:36]([C:35]([C:34]([C:33]([C:32]([C:31]([C:30]([C:29]([C:28](=[C:27]([C:26]([C@@:24]([C:23]([C:22]([C:21]([C:20]([C:19]([C:18]([H:151])([H:152])[H:153])([H:149])[H:150])([H:147])[H:148])([H:145])[H:146])([H:143])[H:144])([H:141])[H:142])([O:25][H:86])[H:140])([H:138])[H:139])[H:137])[H:136])([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])=[O:37])([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][S:38][C:39]([C:40]([N:41]([C:42](=[O:43])[C:44]([C:45]([N:46]([C:47](=[O:48])[C@:49]([O:50][H:87])([C:51]([C:52]([H:88])([H:89])[H:90])([C:53]([H:91])([H:92])[H:93])[C:54]([O:55][P:56](=[O:57])([O:58][H:94])[O:59][P:60](=[O:61])([O:62][H:95])[O:63][C:64]([C@@:65]1([H:96])[O:66][C@:67]([N:68]2:[C:69]([H:97]):[N:70]:[C:71]3:[C:72]([N:73]([H:98])[H:99]):[N:74]:[C:75]([H:100]):[N:76]:[C:77]:2:3)([H:101])[C@@:78]([O:79][H:102])([H:103])[C@@:80]1([O:81][P:82](=[O:83])([O:84][H:104])[O:85][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]