EVODEX.1-P1988 - 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]([C:17]([C:18](=[O:19])[S:20][C:21]([C:22]([N:23]([C:24](=[O:25])[C:26]([C:27]([N:28]([C:29](=[O:30])[C@:31]([O:32][H:89])([C:33]([C:34]([H:90])([H:91])[H:92])([C:35]([H:93])([H:94])[H:95])[C:36]([O:37][P:38](=[O:39])([O:40][H:96])[O:41][P:42](=[O:43])([O:44][H:97])[O:45][C:46]([C@@:47]1([H:98])[O:48][C@:49]([N:50]2:[C:51]([H:99]):[N:52]:[C:53]3:[C:54]([N:55]([H:100])[H:101]):[N:56]:[C:57]([H:102]):[N:58]:[C:59]:2:3)([H:103])[C@@:60]([O:61][H:104])([H:105])[C@@:62]1([O:63][P:64](=[O:65])([O:66][H:106])[O:67][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:155])[H:156]>>[H]C(O[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:154])([H:155])[H:156])([H:152])[H:153])([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:139])[H:138])([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:19])=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])C([H])([H])C([H])([H])[H].[H][S:20][C:21]([C:22]([N:23]([C:24](=[O:25])[C:26]([C:27]([N:28]([C:29](=[O:30])[C@:31]([O:32][H:89])([C:33]([C:34]([H:90])([H:91])[H:92])([C:35]([H:93])([H:94])[H:95])[C:36]([O:37][P:38](=[O:39])([O:40][H:96])[O:41][P:42](=[O:43])([O:44][H:97])[O:45][C:46]([C@@:47]1([H:98])[O:48][C@:49]([N:50]2:[C:51]([H:99]):[N:52]:[C:53]3:[C:54]([N:55]([H:100])[H:101]):[N:56]:[C:57]([H:102]):[N:58]:[C:59]:2:3)([H:103])[C@@:60]([O:61][H:104])([H:105])[C@@:62]1([O:63][P:64](=[O:65])([O:66][H:106])[O:67][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-F23 - Elemental Balance

O	1
C	20
H	40

EVODEX.1-M95 - Mass Difference

296.3081

EVODEX.1-E463 - 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](-[#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].[#16:18](-[#6:19])-[H]

EVODEX.1-C341 - Reaction Operator C

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

EVODEX.1-N394 - Reaction Operator N

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

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-R2646

[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](=[O:19])[S:20][C:21]([C:22]([N:23]([C:24](=[O:25])[C:26]([C:27]([N:28]([C:29](=[O:30])[C@:31]([O:32][H:89])([C:33]([C:34]([H:90])([H:91])[H:92])([C:35]([H:93])([H:94])[H:95])[C:36]([O:37][P:38](=[O:39])([O:40][H:96])[O:41][P:42](=[O:43])([O:44][H:97])[O:45][C:46]([C@@:47]1([H:98])[O:48][C@:49]([N:50]2:[C:51]([H:99]):[N:52]:[C:53]3:[C:54]([N:55]([H:100])[H:101]):[N:56]:[C:57]([H:102]):[N:58]:[C:59]:2:3)([H:103])[C@@:60]([O:61][H:104])([H:105])[C@@:62]1([O:63][P:64](=[O:65])([O:66][H:106])[O:67][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:155])[H:156].[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]([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])([H:162])[H:163])([H:160])[H:161])[H:159])[H:158]>>[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](=[O:19])[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]([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])([H:162])[H:163])([H:160])[H:161])[H:159])[H:158])([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:155])[H:156].[H][S:20][C:21]([C:22]([N:23]([C:24](=[O:25])[C:26]([C:27]([N:28]([C:29](=[O:30])[C@:31]([O:32][H:89])([C:33]([C:34]([H:90])([H:91])[H:92])([C:35]([H:93])([H:94])[H:95])[C:36]([O:37][P:38](=[O:39])([O:40][H:96])[O:41][P:42](=[O:43])([O:44][H:97])[O:45][C:46]([C@@:47]1([H:98])[O:48][C@:49]([N:50]2:[C:51]([H:99]):[N:52]:[C:53]3:[C:54]([N:55]([H:100])[H:101]):[N:56]:[C:57]([H:102]):[N:58]:[C:59]:2:3)([H:103])[C@@:60]([O:61][H:104])([H:105])[C@@:62]1([O:63][P:64](=[O:65])([O:66][H:106])[O:67][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]