EVODEX.1-P1996 - 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]([C:34]([C:35](=[O:36])[S:37][C:38]([C:39]([N:40]([C:41](=[O:42])[C:43]([C:44]([N:45]([C:46](=[O:47])[C@:48]([O:49][H:119])([C:50]([C:51]([H:120])([H:121])[H:122])([C:52]([H:123])([H:124])[H:125])[C:53]([O:54][P:55](=[O:56])([O:57][H:126])[O:58][P:59](=[O:60])([O:61][H:127])[O:62][C:63]([C@@:64]1([H:128])[O:65][C@:66]([N:67]2:[C:68]([H:129]):[N:69]:[C:70]3:[C:71]([N:72]([H:130])[H:131]):[N:73]:[C:74]([H:132]):[N:75]:[C:76]:2:3)([H:133])[C@@:77]([O:78][H:134])([H:135])[C@@:79]1([O:80][P:81](=[O:82])([O:83][H:136])[O:84][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:179])([H:180])[H:181])([H:182])([H:183])[H:184]>>[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: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]([C:21]([C:20]([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])=[O:36].[H][S:37][C:38]([C:39]([N:40]([C:41](=[O:42])[C:43]([C:44]([N:45]([C:46](=[O:47])[C@:48]([O:49][H:119])([C:50]([C:51]([H:120])([H:121])[H:122])([C:52]([H:123])([H:124])[H:125])[C:53]([O:54][P:55](=[O:56])([O:57][H:126])[O:58][P:59](=[O:60])([O:61][H:127])[O:62][C:63]([C@@:64]1([H:128])[O:65][C@:66]([N:67]2:[C:68]([H:129]):[N:69]:[C:70]3:[C:71]([N:72]([H:130])[H:131]):[N:73]:[C:74]([H:132]):[N:75]:[C:76]:2:3)([H:133])[C@@:77]([O:78][H:134])([H:135])[C@@:79]1([O:80][P:81](=[O:82])([O:83][H:136])[O:84][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]

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-R2652

[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:116])([H:117])[H:118])([H:114])[H:115])([H:112])[H:113])([H:110])[H:111])([H:108])[H:109])[H:107])[H:106])([H:104])[H:105])[H:103])[H:102])([H:100])[H:101])([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].[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]([C:34]([C:35](=[O:36])[S:37][C:38]([C:39]([N:40]([C:41](=[O:42])[C:43]([C:44]([N:45]([C:46](=[O:47])[C@:48]([O:49][H:119])([C:50]([C:51]([H:120])([H:121])[H:122])([C:52]([H:123])([H:124])[H:125])[C:53]([O:54][P:55](=[O:56])([O:57][H:126])[O:58][P:59](=[O:60])([O:61][H:127])[O:62][C:63]([C@@:64]1([H:128])[O:65][C@:66]([N:67]2:[C:68]([H:129]):[N:69]:[C:70]3:[C:71]([N:72]([H:130])[H:131]):[N:73]:[C:74]([H:132]):[N:75]:[C:76]:2:3)([H:133])[C@@:77]([O:78][H:134])([H:135])[C@@:79]1([O:80][P:81](=[O:82])([O:83][H:136])[O:84][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:179])([H:180])[H:181])([H:182])([H:183])[H:184]>>[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: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]([C:21]([C:20]([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])=[O:36])([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:117])[H:118].[H][S:37][C:38]([C:39]([N:40]([C:41](=[O:42])[C:43]([C:44]([N:45]([C:46](=[O:47])[C@:48]([O:49][H:119])([C:50]([C:51]([H:120])([H:121])[H:122])([C:52]([H:123])([H:124])[H:125])[C:53]([O:54][P:55](=[O:56])([O:57][H:126])[O:58][P:59](=[O:60])([O:61][H:127])[O:62][C:63]([C@@:64]1([H:128])[O:65][C@:66]([N:67]2:[C:68]([H:129]):[N:69]:[C:70]3:[C:71]([N:72]([H:130])[H:131]):[N:73]:[C:74]([H:132]):[N:75]:[C:76]:2:3)([H:133])[C@@:77]([O:78][H:134])([H:135])[C@@:79]1([O:80][P:81](=[O:82])([O:83][H:136])[O:84][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]