EVODEX.1-P1725 - Partial Reaction

SMIRKS

[C:22]([C:23]([C:24]([C:25]([C:26]([C:27]([C:28]([C:29]([C:30]([C:31]([C:32]([C:33]([C:34]([C:35]([C:36]([C:37]([C:38]([O:39][H:127])([C:40](=[O:41])[S:42][C:43]([C:44]([N:45]([C:46](=[O:47])[C:48]([C:49]([N:50]([C:51](=[O:52])[C@:53]([O:54][H:128])([C:55]([C:56]([H:129])([H:130])[H:131])([C:57]([H:132])([H:133])[H:134])[C:58]([O:59][P:60](=[O:61])([O:62][H:135])[O:63][P:64](=[O:65])([O:66][H:136])[O:67][C:68]([C@@:69]1([H:137])[O:70][C@:71]([N:72]2:[C:73]([H:138]):[N:74]:[C:75]3:[C:76]([N:77]([H:139])[H:140]):[N:78]:[C:79]([H:141]):[N:80]:[C:81]:2:3)([H:142])[C@@:82]([O:83][H:143])([H:144])[C@@:84]1([O:85][P:86](=[O:87])([O:88][H:145])[O:89][H:146])[H:147])([H:148])[H:149])([H:150])[H:151])[H:152])[H:153])([H:154])[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:188])[H:189])([H:190])[H:191])([H:192])[H:193])([H:194])([H:195])[H:196]>>[H]OC([H])([H])[C@]([H])(N([H])[C:40]([C:38]([C:37]([C:36]([C:35]([C:34]([C:33]([C:32]([C:31]([C:30]([C:29]([C:28]([C:27]([C:26]([C:25]([C:24]([C:23]([C:22]([H:194])([H:195])[H:196])([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])([O:39][H:127])[H:163])=[O:41])[C@]([H])(O[H])C([H])=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])[H].[H][S:42][C:43]([C:44]([N:45]([C:46](=[O:47])[C:48]([C:49]([N:50]([C:51](=[O:52])[C@:53]([O:54][H:128])([C:55]([C:56]([H:129])([H:130])[H:131])([C:57]([H:132])([H:133])[H:134])[C:58]([O:59][P:60](=[O:61])([O:62][H:135])[O:63][P:64](=[O:65])([O:66][H:136])[O:67][C:68]([C@@:69]1([H:137])[O:70][C@:71]([N:72]2:[C:73]([H:138]):[N:74]:[C:75]3:[C:76]([N:77]([H:139])[H:140]):[N:78]:[C:79]([H:141]):[N:80]:[C:81]:2:3)([H:142])[C@@:82]([O:83][H:143])([H:144])[C@@:84]1([O:85][P:86](=[O:87])([O:88][H:145])[O:89][H:146])[H:147])([H:148])[H:149])([H:150])[H:151])[H:152])[H:153])([H:154])[H:155])([H:156])[H:157])[H:158])([H:159])[H:160])([H:161])[H:162]

Derived Operators

EVODEX.1-F350 - Elemental Balance

C	18
O	2
N	1
H	37

EVODEX.1-M151 - Mass Difference

299.28261000000003

EVODEX.1-E1141 - Reaction Operator E

[#6:38]-[#6:40](=[#8:41])-[#16:42]-[#6:43]>>[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](=[#6](-[#6@@](-[#8]-[H])(-[#6@@](-[#7](-[#6:40](-[#6:38])=[#8:41])-[H])(-[#6](-[#8]-[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].[#16:42](-[#6:43])-[H]

EVODEX.1-C316 - Reaction Operator C

[#6:40]-[#16:42]>>[H]-[#8]-[#6](-[H])(-[H])-[#6@](-[H])(-[#7](-[H])-[#6:40])-[#6@](-[H])(-[#8]-[H])-[#6](-[H])=[#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])-[H].[H]-[#16:42]

EVODEX.1-N366 - Reaction Operator N

[#6:38]-[#6:40](=[#8:41])-[#16:42]-[#6:43]>>[H]-[#8]-[#6](-[H])(-[H])-[#6@](-[H])(-[#7](-[H])-[#6:40](-[#6:38])=[#8:41])-[#6@](-[H])(-[#8]-[H])-[#6](-[H])=[#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])-[H].[H]-[#16:42]-[#6:43]

EVODEX.1-Em90 - Reaction Operator Em

[#6:2]-[#6:3](=[#8:4])-[#16:5]-[#6:6]>>[#6]-[#7](-[H])-[#6:3](-[#6:2])=[#8:4].[H]-[#16:5]-[#6:6]

EVODEX.1-Cm79 - Reaction Operator Cm

[#6:3]-[#16:5]>>[#7]-[#6:3].[H]-[#16:5]

EVODEX.1-Nm56 - Reaction Operator Nm

[#6:2]-[#6:3](=[#8:4])-[#16:5]-[#6:6]>>[#6]-[#7](-[H])-[#6:3](-[#6:2])=[#8:4].[H]-[#16:5]-[#6:6]

Source Full Reactions

EVODEX.1-R2299

[H][N:19]([C@:18]([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:124])([H:125])[H:126])([H:122])[H:123])([H:120])[H:121])([H:118])[H:119])([H:116])[H:117])([H:114])[H:115])([H:112])[H:113])([H:110])[H:111])([H:108])[H:109])([H:106])[H:107])([H:104])[H:105])([H:102])[H:103])([H:100])[H:101])[H:99])[H:98])([O:17][H:90])[H:97])([C:20]([O:21][H:93])([H:94])[H:95])[H:96])[H:91].[C:22]([C:23]([C:24]([C:25]([C:26]([C:27]([C:28]([C:29]([C:30]([C:31]([C:32]([C:33]([C:34]([C:35]([C:36]([C:37]([C:38]([O:39][H:127])([C:40](=[O:41])[S:42][C:43]([C:44]([N:45]([C:46](=[O:47])[C:48]([C:49]([N:50]([C:51](=[O:52])[C@:53]([O:54][H:128])([C:55]([C:56]([H:129])([H:130])[H:131])([C:57]([H:132])([H:133])[H:134])[C:58]([O:59][P:60](=[O:61])([O:62][H:135])[O:63][P:64](=[O:65])([O:66][H:136])[O:67][C:68]([C@@:69]1([H:137])[O:70][C@:71]([N:72]2:[C:73]([H:138]):[N:74]:[C:75]3:[C:76]([N:77]([H:139])[H:140]):[N:78]:[C:79]([H:141]):[N:80]:[C:81]:2:3)([H:142])[C@@:82]([O:83][H:143])([H:144])[C@@:84]1([O:85][P:86](=[O:87])([O:88][H:145])[O:89][H:146])[H:147])([H:148])[H:149])([H:150])[H:151])[H:152])[H:153])([H:154])[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:188])[H:189])([H:190])[H:191])([H:192])[H:193])([H:194])([H:195])[H:196]>>[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][H:90])([C@@:18]([N:19]([C:40]([C:38]([C:37]([C:36]([C:35]([C:34]([C:33]([C:32]([C:31]([C:30]([C:29]([C:28]([C:27]([C:26]([C:25]([C:24]([C:23]([C:22]([H:194])([H:195])[H:196])([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])([O:39][H:127])[H:163])=[O:41])[H:91])([C:20]([O:21][H:93])([H:94])[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][S:42][C:43]([C:44]([N:45]([C:46](=[O:47])[C:48]([C:49]([N:50]([C:51](=[O:52])[C@:53]([O:54][H:128])([C:55]([C:56]([H:129])([H:130])[H:131])([C:57]([H:132])([H:133])[H:134])[C:58]([O:59][P:60](=[O:61])([O:62][H:135])[O:63][P:64](=[O:65])([O:66][H:136])[O:67][C:68]([C@@:69]1([H:137])[O:70][C@:71]([N:72]2:[C:73]([H:138]):[N:74]:[C:75]3:[C:76]([N:77]([H:139])[H:140]):[N:78]:[C:79]([H:141]):[N:80]:[C:81]:2:3)([H:142])[C@@:82]([O:83][H:143])([H:144])[C@@:84]1([O:85][P:86](=[O:87])([O:88][H:145])[O:89][H:146])[H:147])([H:148])[H:149])([H:150])[H:151])[H:152])[H:153])([H:154])[H:155])([H:156])[H:157])[H:158])([H:159])[H:160])([H:161])[H:162]