EVODEX.1-P1816 - Partial Reaction

SMIRKS

[H][O:90][C@:89]([C:88]([O:87][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:199])([H:200])[H:201])([H:197])[H:198])([H:195])[H:196])([H:193])[H:194])([H:191])[H:192])([H:189])[H:190])([H:187])[H:188])([H:185])[H:186])([H:183])[H:184])([H:181])[H:182])([H:179])[H:180])([H:177])[H:178])([H:175])[H:176])([H:173])[H:174])([H:171])[H:172])=[O:86])([H:169])[H:170])([C:91]([O:92][P:93](=[O:94])([O:95][H:164])[O:96][H:165])([H:166])[H:167])[H:168]>>[H]C(=C([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C(=O)[O:90][C@:89]([C:88]([O:87][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:199])([H:200])[H:201])([H:197])[H:198])([H:195])[H:196])([H:193])[H:194])([H:191])[H:192])([H:189])[H:190])([H:187])[H:188])([H:185])[H:186])([H:183])[H:184])([H:181])[H:182])([H:179])[H:180])([H:177])[H:178])([H:175])[H:176])([H:173])[H:174])([H:171])[H:172])=[O:86])([H:169])[H:170])([C:91]([O:92][P:93](=[O:94])([O:95][H:164])[O:96][H:165])([H:166])[H:167])[H:168])C([H])([H])C([H])=C([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]

Derived Operators

EVODEX.1-F92 - Elemental Balance

C	20
O	1
H	30

EVODEX.1-M62 - Mass Difference

286.2298

EVODEX.1-E668 - Reaction Operator E

[#6:88]-[#6@@:89](-[#8:90]-[H])(-[#6:91])-[H:168]>>[#6](-[#6](-[#6](-[#6](-[#6](-[#6](=[#6](-[#6](-[#6](=[#6](-[#6](-[#6](=[#6](-[#6](-[#6](=[#6](-[#6](-[#6](-[#6](-[#6](=[#8])-[#8:90]-[#6@:89](-[#6:88])(-[#6:91])-[H:168])(-[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]

EVODEX.1-C158 - Reaction Operator C

[H]-[#8:86]>>[H]-[#6](=[#6](-[H])-[#6](-[H])(-[H])-[#6](-[H])=[#6](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8:86])-[#6](-[H])(-[H])-[#6](-[H])=[#6](-[H])-[#6](-[H])(-[H])-[#6](-[H])=[#6](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H]

EVODEX.1-N72 - Reaction Operator N

[H]-[#8:86]-[#6:85]>>[H]-[#6](=[#6](-[H])-[#6](-[H])(-[H])-[#6](-[H])=[#6](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8:86]-[#6:85])-[#6](-[H])(-[H])-[#6](-[H])=[#6](-[H])-[#6](-[H])(-[H])-[#6](-[H])=[#6](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H]

EVODEX.1-Em8 - Reaction Operator Em

[H]-[#8:28]-[#6:27]>>[#6]-[#6](=[#8])-[#8:28]-[#6:27]

EVODEX.1-Cm7 - Reaction Operator Cm

[H]-[#8:28]>>[#6]-[#8:28]

EVODEX.1-Nm5 - Reaction Operator Nm

[H]-[#8:28]-[#6:27]>>[#6]-[#6](=[#8])-[#8:28]-[#6:27]

Source Full Reactions

EVODEX.1-R2467

[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:97])([C:35]([C:36]([H:98])([H:99])[H:100])([C:37]([H:101])([H:102])[H:103])[C:38]([O:39][P:40](=[O:41])([O:42][H:104])[O:43][P:44](=[O:45])([O:46][H:105])[O:47][C:48]([C@@:49]1([H:106])[O:50][C@:51]([N:52]2:[C:53]([H:107]):[N:54]:[C:55]3:[C:56]([N:57]([H:108])[H:109]):[N:58]:[C:59]([H:110]):[N:60]:[C:61]:2:3)([H:111])[C@@:62]([O:63][H:112])([H:113])[C@@:64]1([O:65][P:66](=[O:67])([O:68][H:114])[O:69][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:157])([H:158])[H:159])([H:160])([H:161])[H:162].[H][O:90][C@:89]([C:88]([O:87][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:199])([H:200])[H:201])([H:197])[H:198])([H:195])[H:196])([H:193])[H:194])([H:191])[H:192])([H:189])[H:190])([H:187])[H:188])([H:185])[H:186])([H:183])[H:184])([H:181])[H:182])([H:179])[H:180])([H:177])[H:178])([H:175])[H:176])([H:173])[H:174])([H:171])[H:172])=[O:86])([H:169])[H:170])([C:91]([O:92][P:93](=[O:94])([O:95][H:164])[O:96][H:165])([H:166])[H:167])[H:168]>>[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:90][C@:89]([C:88]([O:87][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:199])([H:200])[H:201])([H:197])[H:198])([H:195])[H:196])([H:193])[H:194])([H:191])[H:192])([H:189])[H:190])([H:187])[H:188])([H:185])[H:186])([H:183])[H:184])([H:181])[H:182])([H:179])[H:180])([H:177])[H:178])([H:175])[H:176])([H:173])[H:174])([H:171])[H:172])=[O:86])([H:169])[H:170])([C:91]([O:92][P:93](=[O:94])([O:95][H:164])[O:96][H:165])([H:166])[H:167])[H:168])([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:157])([H:158])[H:159])([H:160])([H:161])[H:162].[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:97])([C:35]([C:36]([H:98])([H:99])[H:100])([C:37]([H:101])([H:102])[H:103])[C:38]([O:39][P:40](=[O:41])([O:42][H:104])[O:43][P:44](=[O:45])([O:46][H:105])[O:47][C:48]([C@@:49]1([H:106])[O:50][C@:51]([N:52]2:[C:53]([H:107]):[N:54]:[C:55]3:[C:56]([N:57]([H:108])[H:109]):[N:58]:[C:59]([H:110]):[N:60]:[C:61]:2:3)([H:111])[C@@:62]([O:63][H:112])([H:113])[C@@:64]1([O:65][P:66](=[O:67])([O:68][H:114])[O:69][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]