EVODEX.1-P1984 - Partial Reaction

SMIRKS

[C:20]([C:21]([C:22]([C:23]([C:24]([C:25]([C:26]([C:27]([C:28]([C:29]([C:30]([C:31]([C:32]([C:33](=[O:34])[S:35][C:36]([C:37]([N:38]([C:39](=[O:40])[C:41]([C:42]([N:43]([C:44](=[O:45])[C@:46]([O:47][H:117])([C:48]([C:49]([H:118])([H:119])[H:120])([C:50]([H:121])([H:122])[H:123])[C:51]([O:52][P:53](=[O:54])([O:55][H:124])[O:56][P:57](=[O:58])([O:59][H:125])[O:60][C:61]([C@@:62]1([H:126])[O:63][C@:64]([N:65]2:[C:66]([H:127]):[N:67]:[C:68]3:[C:69]([N:70]([H:128])[H:129]):[N:71]:[C:72]([H:130]):[N:73]:[C:74]:2:3)([H:131])[C@@:75]([O:76][H:132])([H:133])[C@@:77]1([O:78][P:79](=[O:80])([O:81][H:134])[O:82][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:171])([H:172])[H:173])([H:174])[H:175])([H:176])([H:177])[H:178]>>[H]C(=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])=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])O[C:33]([C:32]([C:31]([C:30]([C:29]([C:28]([C:27]([C:26]([C:25]([C:24]([C:23]([C:22]([C:21]([C:20]([H:176])([H:177])[H:178])([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])=[O:34].[H][S:35][C:36]([C:37]([N:38]([C:39](=[O:40])[C:41]([C:42]([N:43]([C:44](=[O:45])[C@:46]([O:47][H:117])([C:48]([C:49]([H:118])([H:119])[H:120])([C:50]([H:121])([H:122])[H:123])[C:51]([O:52][P:53](=[O:54])([O:55][H:124])[O:56][P:57](=[O:58])([O:59][H:125])[O:60][C:61]([C@@:62]1([H:126])[O:63][C@:64]([N:65]2:[C:66]([H:127]):[N:67]:[C:68]3:[C:69]([N:70]([H:128])[H:129]):[N:71]:[C:72]([H:130]):[N:73]:[C:74]:2:3)([H:131])[C@@:75]([O:76][H:132])([H:133])[C@@:77]1([O:78][P:79](=[O:80])([O:81][H:134])[O:82][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]

Derived Operators

EVODEX.1-F130 - Elemental Balance

O	1
C	18
H	34

EVODEX.1-M187 - Mass Difference

266.26112

EVODEX.1-E770 - Reaction Operator E

[#6:36]-[#6:37](=[#8:38])-[#16:39]-[#6:40]>>[#6](-[#6](-[#6](-[#6](-[#6](-[#6](=[#6](-[#6](-[#6](=[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#8]-[#6:37](-[#6:36])=[#8:38])(-[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].[#16:39](-[#6:40])-[H]

EVODEX.1-C361 - Reaction Operator C

[#6:35]-[#16:37]>>[H]-[#6](=[#6](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])=[#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])-[#8]-[#6:35].[H]-[#16:37]

EVODEX.1-N414 - Reaction Operator N

[#6:34]-[#6:35](=[#8:36])-[#16:37]-[#6:38]>>[H]-[#6](=[#6](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])=[#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])-[#8]-[#6:35](-[#6:34])=[#8:36].[H]-[#16:37]-[#6:38]

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-R2643

[H][O: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:114])([H:115])[H:116])([H:112])[H:113])([H:110])[H:111])([H:108])[H:109])([H:106])[H:107])[H:105])[H:104])([H:102])[H:103])[H:101])[H:100])([H:98])[H:99])([H:96])[H:97])([H:94])[H:95])([H:92])[H:93])([H:90])[H:91])([H:88])[H:89])([H:86])[H:87])([H:84])[H:85].[C:20]([C:21]([C:22]([C:23]([C:24]([C:25]([C:26]([C:27]([C:28]([C:29]([C:30]([C:31]([C:32]([C:33](=[O:34])[S:35][C:36]([C:37]([N:38]([C:39](=[O:40])[C:41]([C:42]([N:43]([C:44](=[O:45])[C@:46]([O:47][H:117])([C:48]([C:49]([H:118])([H:119])[H:120])([C:50]([H:121])([H:122])[H:123])[C:51]([O:52][P:53](=[O:54])([O:55][H:124])[O:56][P:57](=[O:58])([O:59][H:125])[O:60][C:61]([C@@:62]1([H:126])[O:63][C@:64]([N:65]2:[C:66]([H:127]):[N:67]:[C:68]3:[C:69]([N:70]([H:128])[H:129]):[N:71]:[C:72]([H:130]):[N:73]:[C:74]:2:3)([H:131])[C@@:75]([O:76][H:132])([H:133])[C@@:77]1([O:78][P:79](=[O:80])([O:81][H:134])[O:82][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:171])([H:172])[H:173])([H:174])[H:175])([H:176])([H:177])[H:178]>>[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][C:33]([C:32]([C:31]([C:30]([C:29]([C:28]([C:27]([C:26]([C:25]([C:24]([C:23]([C:22]([C:21]([C:20]([H:176])([H:177])[H:178])([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])=[O:34])([H:84])[H:85])([H:86])[H:87])([H:88])[H:89])([H:90])[H:91])([H:92])[H:93])([H:94])[H:95])([H:96])[H:97])([H:98])[H:99])[H:100])[H:101])([H:102])[H:103])[H:104])[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][S:35][C:36]([C:37]([N:38]([C:39](=[O:40])[C:41]([C:42]([N:43]([C:44](=[O:45])[C@:46]([O:47][H:117])([C:48]([C:49]([H:118])([H:119])[H:120])([C:50]([H:121])([H:122])[H:123])[C:51]([O:52][P:53](=[O:54])([O:55][H:124])[O:56][P:57](=[O:58])([O:59][H:125])[O:60][C:61]([C@@:62]1([H:126])[O:63][C@:64]([N:65]2:[C:66]([H:127]):[N:67]:[C:68]3:[C:69]([N:70]([H:128])[H:129]):[N:71]:[C:72]([H:130]):[N:73]:[C:74]:2:3)([H:131])[C@@:75]([O:76][H:132])([H:133])[C@@:77]1([O:78][P:79](=[O:80])([O:81][H:134])[O:82][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]