EVODEX.1-P2038 - 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]([C:19]([C:20](=[O:21])[S:22][C:23]([C:24]([N:25]([C:26](=[O:27])[C:28]([C:29]([N:30]([C:31](=[O:32])[C@:33]([O:34][H:87])([C:35]([C:36]([H:88])([H:89])[H:90])([C:37]([H:91])([H:92])[H:93])[C:38]([O:39][P:40](=[O:41])([O:42][H:94])[O:43][P:44](=[O:45])([O:46][H:95])[O:47][C:48]([C@@:49]1([H:96])[O:50][C@:51]([N:52]2:[C:53]([H:97]):[N:54]:[C:55]3:[C:56]([N:57]([H:98])[H:99]):[N:58]:[C:59]([H:100]):[N:60]:[C:61]:2:3)([H:101])[C@@:62]([O:63][H:102])([H:103])[C@@:64]1([O:65][P:66](=[O:67])([O:68][H:104])[O:69][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]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: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:148])([H:149])[H:150])([H:146])[H:147])[H:145])[H:144])([H:142])[H:143])[H:141])[H:140])([H:138])[H:139])[H:137])[H:136])([H:134])[H:135])[H:133])[H:132])([H:130])[H:131])[H:129])[H:128])([H:126])[H:127])([H:124])[H:125])([H:122])[H:123])=[O:21].[H][S:22][C:23]([C:24]([N:25]([C:26](=[O:27])[C:28]([C:29]([N:30]([C:31](=[O:32])[C@:33]([O:34][H:87])([C:35]([C:36]([H:88])([H:89])[H:90])([C:37]([H:91])([H:92])[H:93])[C:38]([O:39][P:40](=[O:41])([O:42][H:94])[O:43][P:44](=[O:45])([O:46][H:95])[O:47][C:48]([C@@:49]1([H:96])[O:50][C@:51]([N:52]2:[C:53]([H:97]):[N:54]:[C:55]3:[C:56]([N:57]([H:98])[H:99]):[N:58]:[C:59]([H:100]):[N:60]:[C:61]:2:3)([H:101])[C@@:62]([O:63][H:102])([H:103])[C@@:64]1([O:65][P:66](=[O:67])([O:68][H:104])[O:69][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-F339 - Elemental Balance

O	1
C	16
H	34

EVODEX.1-M348 - Mass Difference

242.26112

EVODEX.1-E1126 - Reaction Operator E

[#6:7]-[#6:8](=[#8:9])-[#16:10]-[#6:11]>>[#6:7]-[#6:8](=[#8:9])-[#8]-[#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].[#16:10](-[#6:11])-[H]

EVODEX.1-C312 - Reaction Operator C

[#6:20]-[#16:22]>>[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]-[#6:20].[H]-[#16:22]

EVODEX.1-N362 - Reaction Operator N

[#6:19]-[#6:20](=[#8:21])-[#16:22]-[#6:23]>>[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]-[#6:20](-[#6:19])=[#8:21].[H]-[#16:22]-[#6:23]

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-R2678

[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](=[O:21])[S:22][C:23]([C:24]([N:25]([C:26](=[O:27])[C:28]([C:29]([N:30]([C:31](=[O:32])[C@:33]([O:34][H:87])([C:35]([C:36]([H:88])([H:89])[H:90])([C:37]([H:91])([H:92])[H:93])[C:38]([O:39][P:40](=[O:41])([O:42][H:94])[O:43][P:44](=[O:45])([O:46][H:95])[O:47][C:48]([C@@:49]1([H:96])[O:50][C@:51]([N:52]2:[C:53]([H:97]):[N:54]:[C:55]3:[C:56]([N:57]([H:98])[H:99]):[N:58]:[C:59]([H:100]):[N:60]:[C:61]:2:3)([H:101])[C@@:62]([O:63][H:102])([H:103])[C@@:64]1([O:65][P:66](=[O:67])([O:68][H:104])[O:69][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][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]([H:182])([H:183])[H:184])([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:154])[H:155])([H:152])[H:153]>>[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](=[O:21])[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]([H:182])([H:183])[H:184])([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:154])[H:155])([H:152])[H:153])([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][S:22][C:23]([C:24]([N:25]([C:26](=[O:27])[C:28]([C:29]([N:30]([C:31](=[O:32])[C@:33]([O:34][H:87])([C:35]([C:36]([H:88])([H:89])[H:90])([C:37]([H:91])([H:92])[H:93])[C:38]([O:39][P:40](=[O:41])([O:42][H:94])[O:43][P:44](=[O:45])([O:46][H:95])[O:47][C:48]([C@@:49]1([H:96])[O:50][C@:51]([N:52]2:[C:53]([H:97]):[N:54]:[C:55]3:[C:56]([N:57]([H:98])[H:99]):[N:58]:[C:59]([H:100]):[N:60]:[C:61]:2:3)([H:101])[C@@:62]([O:63][H:102])([H:103])[C@@:64]1([O:65][P:66](=[O:67])([O:68][H:104])[O:69][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]