EVODEX.1-P1975 - 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:87])([C:33]([C:34]([H:88])([H:89])[H:90])([C:35]([H:91])([H:92])[H:93])[C:36]([O:37][P:38](=[O:39])([O:40][H:94])[O:41][P:42](=[O:43])([O:44][H:95])[O:45][C:46]([C@@:47]1([H:96])[O:48][C@:49]([N:50]2:[C:51]([H:97]):[N:52]:[C:53]3:[C:54]([N:55]([H:98])[H:99]):[N:56]:[C:57]([H:100]):[N:58]:[C:59]:2:3)([H:101])[C@@:60]([O:61][H:102])([H:103])[C@@:62]1([O:63][P:64](=[O:65])([O:66][H:104])[O:67][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]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:150])([H:151])[H:152])([H:148])[H:149])([H:146])[H:147])([H:144])[H:145])([H:142])[H:143])[H:141])[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: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])[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:87])([C:33]([C:34]([H:88])([H:89])[H:90])([C:35]([H:91])([H:92])[H:93])[C:36]([O:37][P:38](=[O:39])([O:40][H:94])[O:41][P:42](=[O:43])([O:44][H:95])[O:45][C:46]([C@@:47]1([H:96])[O:48][C@:49]([N:50]2:[C:51]([H:97]):[N:52]:[C:53]3:[C:54]([N:55]([H:98])[H:99]):[N:56]:[C:57]([H:100]):[N:58]:[C:59]:2:3)([H:101])[C@@:60]([O:61][H:102])([H:103])[C@@:62]1([O:63][P:64](=[O:65])([O:66][H:104])[O:67][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-F25 - Elemental Balance

O	1
C	18
H	36

EVODEX.1-M199 - Mass Difference

268.27678000000003

EVODEX.1-E466 - 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](-[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-C353 - Reaction Operator C

[#6:14]-[#16:16]>>[H]-[#6](-[#8]-[#6:14])=[#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])-[H].[H]-[#16:16]

EVODEX.1-N406 - Reaction Operator N

[#6:13]-[#6:14](=[#8:15])-[#16:16]-[#6:17]>>[H]-[#6](-[#8]-[#6:14](-[#6:13])=[#8:15])=[#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])-[H].[H]-[#16:16]-[#6:17]

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-R2636

[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:87])([C:33]([C:34]([H:88])([H:89])[H:90])([C:35]([H:91])([H:92])[H:93])[C:36]([O:37][P:38](=[O:39])([O:40][H:94])[O:41][P:42](=[O:43])([O:44][H:95])[O:45][C:46]([C@@:47]1([H:96])[O:48][C@:49]([N:50]2:[C:51]([H:97]):[N:52]:[C:53]3:[C:54]([N:55]([H:98])[H:99]):[N:56]:[C:57]([H:100]):[N:58]:[C:59]:2:3)([H:101])[C@@:60]([O:61][H:102])([H:103])[C@@:62]1([O:63][P:64](=[O:65])([O:66][H:104])[O:67][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][O: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:186])([H:187])[H:188])([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:155])[H:154]>>[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: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:186])([H:187])[H:188])([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:155])[H:154])([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][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:87])([C:33]([C:34]([H:88])([H:89])[H:90])([C:35]([H:91])([H:92])[H:93])[C:36]([O:37][P:38](=[O:39])([O:40][H:94])[O:41][P:42](=[O:43])([O:44][H:95])[O:45][C:46]([C@@:47]1([H:96])[O:48][C@:49]([N:50]2:[C:51]([H:97]):[N:52]:[C:53]3:[C:54]([N:55]([H:98])[H:99]):[N:56]:[C:57]([H:100]):[N:58]:[C:59]:2:3)([H:101])[C@@:60]([O:61][H:102])([H:103])[C@@:62]1([O:63][P:64](=[O:65])([O:66][H:104])[O:67][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]