EVODEX.1-P1492 - 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](=[O:36])[O:37][C:38]([C@:39]([C:40]([O:41][P:42](=[O:43])([O:44][H:98])[O:45][C:46]([C:47]([N+:48]([C:49]([H:99])([H:100])[H:101])([C:50]([H:102])([H:103])[H:104])[C:51]([H:105])([H:106])[H:107])([H:108])[H:109])([H:110])[H:111])([H:112])[H:113])([O:52][C:53](=[O:54])[C:55]([C:56]([C:57]([C:58]([C:59]([C:60]([C:61]([C:62]([C:63]([C:64]([C:65]([C:66]([C:67]([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: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]C(=C([H])C(=C([H])C([H])([H])O[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:168])([H:169])[H:170])([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:150])[H:151])([H:148])[H:149])([H:146])[H:147])([H:144])[H:145])=[O:36])C([H])([H])[H])C([H])=C(C([H])=C([H])C1=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C1(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H].[H][O:37][C:38]([C@:39]([C:40]([O:41][P:42](=[O:43])([O:44][H:98])[O:45][C:46]([C:47]([N+:48]([C:49]([H:99])([H:100])[H:101])([C:50]([H:102])([H:103])[H:104])[C:51]([H:105])([H:106])[H:107])([H:108])[H:109])([H:110])[H:111])([H:112])[H:113])([O:52][C:53](=[O:54])[C:55]([C:56]([C:57]([C:58]([C:59]([C:60]([C:61]([C:62]([C:63]([C:64]([C:65]([C:66]([C:67]([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]

Derived Operators

EVODEX.1-F92 - Elemental Balance

C	20
O	1
H	30

EVODEX.1-M62 - Mass Difference

286.2298

EVODEX.1-E669 - Reaction Operator E

[#6:38]-[#6:39](=[#8:40])-[#8:41]-[#6:42]>>[#6](-[#6]1=[#6](-[#6](=[#6](-[#6](-[#6](-[H])(-[H])-[H])=[#6](-[#6](=[#6](-[#6](-[#6](-[H])(-[H])-[H])=[#6](-[#6](-[#8]-[#6:39](-[#6:38])=[#8:40])(-[H])-[H])-[H])-[H])-[H])-[H])-[H])-[H])-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6]-1(-[H])-[H])(-[H])(-[H])-[H].[#8:41](-[#6:42])-[H]

EVODEX.1-C960 - Reaction Operator C

[#6:39]-[#8:41]>>[H]-[#6](=[#6](-[H])-[#6](=[#6](-[H])-[#6](-[H])(-[H])-[#8]-[#6:39])-[#6](-[H])(-[H])-[H])-[#6](-[H])=[#6](-[#6](-[H])=[#6](-[H])-[#6]1=[#6](-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6]-1(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H].[H]-[#8:41]

EVODEX.1-N1200 - Reaction Operator N

[#6:38]-[#6:39](=[#8:40])-[#8:41]-[#6:42]>>[H]-[#6](=[#6](-[H])-[#6](=[#6](-[H])-[#6](-[H])(-[H])-[#8]-[#6:39](-[#6:38])=[#8:40])-[#6](-[H])(-[H])-[H])-[#6](-[H])=[#6](-[#6](-[H])=[#6](-[H])-[#6]1=[#6](-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6]-1(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H].[H]-[#8:41]-[#6:42]

EVODEX.1-Em94 - Reaction Operator Em

[#6:51]-[#8:52]-[#6:53](=[#8:54])-[#6:55]>>[#6]-[#8]-[#6:53](=[#8:54])-[#6:55].[H]-[#8:52]-[#6:51]

EVODEX.1-Cm11 - Reaction Operator Cm

[#6:3]-[#8:4]>>[#8]-[#6:3].[H]-[#8:4]

EVODEX.1-Nm127 - Reaction Operator Nm

[#6:51]-[#8:52]-[#6:53](=[#8:54])-[#6:55]>>[#6]-[#8]-[#6:53](=[#8:54])-[#6:55].[H]-[#8:52]-[#6:51]

Source Full Reactions

EVODEX.1-R2019

[H][O:15][C:14]([C:13](=[C:11]([C:10](=[C:9]([C:8](=[C:6]([C:5](=[C:4]([C:3]1=[C:2]([C:1]([H:95])([H:96])[H:97])[C:21]([H:93])([H:94])[C:20]([H:91])([H:92])[C:19]([H:89])([H:90])[C:16]1([C:17]([H:83])([H:84])[H:85])[C:18]([H:86])([H:87])[H:88])[H:82])[H:81])[C:7]([H:68])([H:69])[H:70])[H:80])[H:79])[H:78])[C:12]([H:71])([H:72])[H:73])[H:77])([H:75])[H:76].[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](=[O:36])[O:37][C:38]([C@:39]([C:40]([O:41][P:42](=[O:43])([O:44][H:98])[O:45][C:46]([C:47]([N+:48]([C:49]([H:99])([H:100])[H:101])([C:50]([H:102])([H:103])[H:104])[C:51]([H:105])([H:106])[H:107])([H:108])[H:109])([H:110])[H:111])([H:112])[H:113])([O:52][C:53](=[O:54])[C:55]([C:56]([C:57]([C:58]([C:59]([C:60]([C:61]([C:62]([C:63]([C:64]([C:65]([C:66]([C:67]([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: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]>>[C:1]([C:2]1=[C:3]([C:4](=[C:5]([C:6]([C:7]([H:68])([H:69])[H:70])=[C:8]([C:9](=[C:10]([C:11]([C:12]([H:71])([H:72])[H:73])=[C:13]([C:14]([O:15][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:168])([H:169])[H:170])([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:150])[H:151])([H:148])[H:149])([H:146])[H:147])([H:144])[H:145])=[O:36])([H:75])[H:76])[H:77])[H:78])[H:79])[H:80])[H:81])[H:82])[C:16]([C:17]([H:83])([H:84])[H:85])([C:18]([H:86])([H:87])[H:88])[C:19]([H:89])([H:90])[C:20]([H:91])([H:92])[C:21]1([H:93])[H:94])([H:95])([H:96])[H:97].[H][O:37][C:38]([C@:39]([C:40]([O:41][P:42](=[O:43])([O:44][H:98])[O:45][C:46]([C:47]([N+:48]([C:49]([H:99])([H:100])[H:101])([C:50]([H:102])([H:103])[H:104])[C:51]([H:105])([H:106])[H:107])([H:108])[H:109])([H:110])[H:111])([H:112])[H:113])([O:52][C:53](=[O:54])[C:55]([C:56]([C:57]([C:58]([C:59]([C:60]([C:61]([C:62]([C:63]([C:64]([C:65]([C:66]([C:67]([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]