EVODEX.1-P2017 - Partial Reaction

SMIRKS

[C:26]([C:27]([C:28]([C:29]([C:30]([C:31]([C@@:32]([O:33][H:144])([C:34]([C:35](=[C:36]([C:37]([C:38]([C:39]([C:40]([C:41]([C:42]([C:43]([C:44](=[O:45])[S:46][C:47]([C:48]([N:49]([C:50](=[O:51])[C:52]([C:53]([N:54]([C:55](=[O:56])[C@:57]([O:58][H:145])([C:59]([C:60]([H:146])([H:147])[H:148])([C:61]([H:149])([H:150])[H:151])[C:62]([O:63][P:64](=[O:65])([O:66][H:152])[O:67][P:68](=[O:69])([O:70][H:153])[O:71][C:72]([C@@:73]1([H:154])[O:74][C@:75]([N:76]2:[C:77]([H:155]):[N:78]:[C:79]3:[C:80]([N:81]([H:156])[H:157]):[N:82]:[C:83]([H:158]):[N:84]:[C:85]:2:3)([H:159])[C@@:86]([O:87][H:160])([H:161])[C@@:88]1([O:89][P:90](=[O:91])([O:92][H:162])[O:93][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:188])[H:189])([H:190])[H:191])([H:192])[H:193])[H:194])[H:195])([H:196])[H:197])[H:198])([H:199])[H:200])([H:201])[H:202])([H:203])[H:204])([H:205])[H:206])([H:207])[H:208])([H:209])([H:210])[H:211]>>[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([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])O[C:44]([C:43]([C:42]([C:41]([C:40]([C:39]([C:38]([C:37]([C:36](=[C:35]([C:34]([C@@:32]([C:31]([C:30]([C:29]([C:28]([C:27]([C:26]([H:209])([H:210])[H:211])([H:207])[H:208])([H:205])[H:206])([H:203])[H:204])([H:201])[H:202])([H:199])[H:200])([O:33][H:144])[H:198])([H:196])[H:197])[H:195])[H:194])([H:192])[H:193])([H:190])[H:191])([H:188])[H:189])([H:186])[H:187])([H:184])[H:185])([H:182])[H:183])([H:180])[H:181])=[O:45].[H][S:46][C:47]([C:48]([N:49]([C:50](=[O:51])[C:52]([C:53]([N:54]([C:55](=[O:56])[C@:57]([O:58][H:145])([C:59]([C:60]([H:146])([H:147])[H:148])([C:61]([H:149])([H:150])[H:151])[C:62]([O:63][P:64](=[O:65])([O:66][H:152])[O:67][P:68](=[O:69])([O:70][H:153])[O:71][C:72]([C@@:73]1([H:154])[O:74][C@:75]([N:76]2:[C:77]([H:155]):[N:78]:[C:79]3:[C:80]([N:81]([H:156])[H:157]):[N:82]:[C:83]([H:158]):[N:84]:[C:85]:2:3)([H:159])[C@@:86]([O:87][H:160])([H:161])[C@@:88]1([O:89][P:90](=[O:91])([O:92][H:162])[O:93][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]

Derived Operators

EVODEX.1-F373 - Elemental Balance

O	1
C	24
H	50

EVODEX.1-M375 - Mass Difference

354.3864

EVODEX.1-E1165 - Reaction Operator E

[#6:17]-[#6:18](=[#8:19])-[#16:20]-[#6:21]>>[#6:17]-[#6:18](=[#8:19])-[#8]-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#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])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H].[#16:20](-[#6:21])-[H]

EVODEX.1-C346 - Reaction Operator C

[#6:44]-[#16:46]>>[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](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#8]-[#6:44].[H]-[#16:46]

EVODEX.1-N399 - Reaction Operator N

[#6:43]-[#6:44](=[#8:45])-[#16:46]-[#6:47]>>[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](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#8]-[#6:44](-[#6:43])=[#8:45].[H]-[#16:46]-[#6:47]

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-R2665

[H][O:25][C:24]([C:23]([C:22]([C:21]([C:20]([C:19]([C:18]([C: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:141])([H:142])[H:143])([H:139])[H:140])([H:137])[H:138])([H:135])[H:136])([H:133])[H:134])([H:131])[H:132])([H:129])[H:130])([H:127])[H:128])([H:125])[H:126])([H:123])[H:124])([H:121])[H:122])([H:119])[H:120])([H:117])[H:118])([H:115])[H:116])([H:113])[H:114])([H:111])[H:112])([H:109])[H:110])([H:107])[H:108])([H:105])[H:106])([H:103])[H:104])([H:101])[H:102])([H:99])[H:100])([H:97])[H:98])([H:95])[H:96].[C:26]([C:27]([C:28]([C:29]([C:30]([C:31]([C@@:32]([O:33][H:144])([C:34]([C:35](=[C:36]([C:37]([C:38]([C:39]([C:40]([C:41]([C:42]([C:43]([C:44](=[O:45])[S:46][C:47]([C:48]([N:49]([C:50](=[O:51])[C:52]([C:53]([N:54]([C:55](=[O:56])[C@:57]([O:58][H:145])([C:59]([C:60]([H:146])([H:147])[H:148])([C:61]([H:149])([H:150])[H:151])[C:62]([O:63][P:64](=[O:65])([O:66][H:152])[O:67][P:68](=[O:69])([O:70][H:153])[O:71][C:72]([C@@:73]1([H:154])[O:74][C@:75]([N:76]2:[C:77]([H:155]):[N:78]:[C:79]3:[C:80]([N:81]([H:156])[H:157]):[N:82]:[C:83]([H:158]):[N:84]:[C:85]:2:3)([H:159])[C@@:86]([O:87][H:160])([H:161])[C@@:88]1([O:89][P:90](=[O:91])([O:92][H:162])[O:93][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:188])[H:189])([H:190])[H:191])([H:192])[H:193])[H:194])[H:195])([H:196])[H:197])[H:198])([H:199])[H:200])([H:201])[H:202])([H:203])[H:204])([H:205])[H:206])([H:207])[H:208])([H:209])([H:210])[H:211]>>[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]([C:19]([C:20]([C:21]([C:22]([C:23]([C:24]([O:25][C:44]([C:43]([C:42]([C:41]([C:40]([C:39]([C:38]([C:37]([C:36](=[C:35]([C:34]([C@@:32]([C:31]([C:30]([C:29]([C:28]([C:27]([C:26]([H:209])([H:210])[H:211])([H:207])[H:208])([H:205])[H:206])([H:203])[H:204])([H:201])[H:202])([H:199])[H:200])([O:33][H:144])[H:198])([H:196])[H:197])[H:195])[H:194])([H:192])[H:193])([H:190])[H:191])([H:188])[H:189])([H:186])[H:187])([H:184])[H:185])([H:182])[H:183])([H:180])[H:181])=[O:45])([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][S:46][C:47]([C:48]([N:49]([C:50](=[O:51])[C:52]([C:53]([N:54]([C:55](=[O:56])[C@:57]([O:58][H:145])([C:59]([C:60]([H:146])([H:147])[H:148])([C:61]([H:149])([H:150])[H:151])[C:62]([O:63][P:64](=[O:65])([O:66][H:152])[O:67][P:68](=[O:69])([O:70][H:153])[O:71][C:72]([C@@:73]1([H:154])[O:74][C@:75]([N:76]2:[C:77]([H:155]):[N:78]:[C:79]3:[C:80]([N:81]([H:156])[H:157]):[N:82]:[C:83]([H:158]):[N:84]:[C:85]:2:3)([H:159])[C@@:86]([O:87][H:160])([H:161])[C@@:88]1([O:89][P:90](=[O:91])([O:92][H:162])[O:93][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]