EVODEX.1-P1993 - 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:89])([C:31]([C:32]([H:90])([H:91])[H:92])([C:33]([H:93])([H:94])[H:95])[C:34]([O:35][P:36](=[O:37])([O:38][H:96])[O:39][P:40](=[O:41])([O:42][H:97])[O:43][C:44]([C@@:45]1([H:98])[O:46][C@:47]([N:48]2:[C:49]([H:99]):[N:50]:[C:51]3:[C:52]([N:53]([H:100])[H:101]):[N:54]:[C:55]([H:102]):[N:56]:[C:57]:2:3)([H:103])[C@@:58]([O:59][H:104])([H:105])[C@@:60]1([O:61][P:62](=[O:63])([O:64][H:106])[O:65][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([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: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: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])=[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:89])([C:31]([C:32]([H:90])([H:91])[H:92])([C:33]([H:93])([H:94])[H:95])[C:34]([O:35][P:36](=[O:37])([O:38][H:96])[O:39][P:40](=[O:41])([O:42][H:97])[O:43][C:44]([C@@:45]1([H:98])[O:46][C@:47]([N:48]2:[C:49]([H:99]):[N:50]:[C:51]3:[C:52]([N:53]([H:100])[H:101]):[N:54]:[C:55]([H:102]):[N:56]:[C:57]:2:3)([H:103])[C@@:58]([O:59][H:104])([H:105])[C@@:60]1([O:61][P:62](=[O:63])([O:64][H:106])[O:65][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]

Derived Operators

EVODEX.1-F368 - Elemental Balance

O	1
C	22
H	46

EVODEX.1-M370 - Mass Difference

326.35508

EVODEX.1-E1160 - 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](-[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-C348 - Reaction Operator C

[#6:42]-[#16:44]>>[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]-[#6:42].[H]-[#16:44]

EVODEX.1-N401 - Reaction Operator N

[#6:41]-[#6:42](=[#8:43])-[#16:44]-[#6:45]>>[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]-[#6:42](-[#6:41])=[#8:43].[H]-[#16:44]-[#6:45]

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-R2650

[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:89])([C:31]([C:32]([H:90])([H:91])[H:92])([C:33]([H:93])([H:94])[H:95])[C:34]([O:35][P:36](=[O:37])([O:38][H:96])[O:39][P:40](=[O:41])([O:42][H:97])[O:43][C:44]([C@@:45]1([H:98])[O:46][C@:47]([N:48]2:[C:49]([H:99]):[N:50]:[C:51]3:[C:52]([N:53]([H:100])[H:101]):[N:54]:[C:55]([H:102]):[N:56]:[C:57]:2:3)([H:103])[C@@:58]([O:59][H:104])([H:105])[C@@:60]1([O:61][P:62](=[O:63])([O:64][H:106])[O:65][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:88][C:87]([C:86]([C:85]([C:84]([C:83]([C: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:198])([H:199])[H:200])([H:196])[H:197])([H:194])[H:195])([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])([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]>>[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:88][C:87]([C:86]([C:85]([C:84]([C:83]([C: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:198])([H:199])[H:200])([H:196])[H:197])([H:194])[H:195])([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])([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: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][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:89])([C:31]([C:32]([H:90])([H:91])[H:92])([C:33]([H:93])([H:94])[H:95])[C:34]([O:35][P:36](=[O:37])([O:38][H:96])[O:39][P:40](=[O:41])([O:42][H:97])[O:43][C:44]([C@@:45]1([H:98])[O:46][C@:47]([N:48]2:[C:49]([H:99]):[N:50]:[C:51]3:[C:52]([N:53]([H:100])[H:101]):[N:54]:[C:55]([H:102]):[N:56]:[C:57]:2:3)([H:103])[C@@:58]([O:59][H:104])([H:105])[C@@:60]1([O:61][P:62](=[O:63])([O:64][H:106])[O:65][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]