SMIRKS
[H][O:21][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:128])([H:129])[H:130])([H:126])[H:127])([H:124])[H:125])([H:122])[H:123])([H:120])[H:121])([H:118])[H:119])([H:116])[H:117])([H:114])[H:115])([H:112])[H:113])([H:110])[H:111])([H:108])[H:109])([H:106])[H:107])([H:104])[H:105])([H:102])[H:103])([H:100])[H:101])([H:98])[H:99])([H:96])[H:97])([H:94])[H:95])[H:93])[H:92]>>[H]C(C(=O)[O:21][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:128])([H:129])[H:130])([H:126])[H:127])([H:124])[H:125])([H:122])[H:123])([H:120])[H:121])([H:118])[H:119])([H:116])[H:117])([H:114])[H:115])([H:112])[H:113])([H:110])[H:111])([H:108])[H:109])([H:106])[H:107])([H:104])[H:105])([H:102])[H:103])([H:100])[H:101])([H:98])[H:99])([H:96])[H:97])([H:94])[H:95])[H:93])[H:92])=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])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])[H]
Derived Operators
EVODEX.1-F105 - Elemental Balance
| O | 1 |
| C | 20 |
| H | 36 |
EVODEX.1-M235 - Mass Difference
292.27678000000003
EVODEX.1-E690 - Reaction Operator E
[#6:81]-[#8:82]-[H]>>[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](=[#6](-[#6](=[#8])-[#8:82]-[#6:81])-[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])-[H])(-[H])(-[H])-[H]
EVODEX.1-C340 - Reaction Operator C
[H]-[#8:84]>>[H]-[#6](-[#6](=[#8])-[#8:84])=[#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])-[#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])-[H]
EVODEX.1-N393 - Reaction Operator N
[H]-[#8:84]-[#6:83]>>[H]-[#6](-[#6](=[#8])-[#8:84]-[#6:83])=[#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])-[#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])-[H]
Source Full Reactions
EVODEX.1-R2599
[H][O:21][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:128])([H:129])[H:130])([H:126])[H:127])([H:124])[H:125])([H:122])[H:123])([H:120])[H:121])([H:118])[H:119])([H:116])[H:117])([H:114])[H:115])([H:112])[H:113])([H:110])[H:111])([H:108])[H:109])([H:106])[H:107])([H:104])[H:105])([H:102])[H:103])([H:100])[H:101])([H:98])[H:99])([H:96])[H:97])([H:94])[H:95])[H:93])[H:92].[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]([C:36]([C:37]([C:38]([C:39](=[C:40]([C:41](=[O:42])[S:43][C:44]([C:45]([N:46]([C:47](=[O:48])[C:49]([C:50]([N:51]([C:52](=[O:53])[C@:54]([O:55][H:131])([C:56]([C:57]([H:132])([H:133])[H:134])([C:58]([H:135])([H:136])[H:137])[C:59]([O:60][P:61](=[O:62])([O:63][H:138])[O:64][P:65](=[O:66])([O:67][H:139])[O:68][C:69]([C@@:70]1([H:140])[O:71][C@:72]([N:73]2:[C:74]([H:141]):[N:75]:[C:76]3:[C:77]([N:78]([H:142])[H:143]):[N:79]:[C:80]([H:144]):[N:81]:[C:82]:2:3)([H:145])[C@@:83]([O:84][H:146])([H:147])[C@@:85]1([O:86][P:87](=[O:88])([O:89][H:148])[O:90][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:185])([H:186])[H:187])([H:188])[H:189])([H:190])[H:191])([H:192])[H:193])([H:194])[H:195])([H:196])[H:197])([H:198])[H:199])([H:200])([H:201])[H:202]>>[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][C:41]([C:40](=[C:39]([C:38]([C:37]([C:36]([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:200])([H:201])[H:202])([H:198])[H:199])([H:196])[H:197])([H:194])[H:195])([H:192])[H:193])([H:190])[H:191])([H:188])[H:189])([H:186])[H:187])([H:184])[H:185])([H:182])[H:183])([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:167])[H:166])=[O:42])[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:119])([H:120])[H:121])([H:122])[H:123])([H:124])[H:125])([H:126])[H:127])([H:128])([H:129])[H:130].[H][S:43][C:44]([C:45]([N:46]([C:47](=[O:48])[C:49]([C:50]([N:51]([C:52](=[O:53])[C@:54]([O:55][H:131])([C:56]([C:57]([H:132])([H:133])[H:134])([C:58]([H:135])([H:136])[H:137])[C:59]([O:60][P:61](=[O:62])([O:63][H:138])[O:64][P:65](=[O:66])([O:67][H:139])[O:68][C:69]([C@@:70]1([H:140])[O:71][C@:72]([N:73]2:[C:74]([H:141]):[N:75]:[C:76]3:[C:77]([N:78]([H:142])[H:143]):[N:79]:[C:80]([H:144]):[N:81]:[C:82]:2:3)([H:145])[C@@:83]([O:84][H:146])([H:147])[C@@:85]1([O:86][P:87](=[O:88])([O:89][H:148])[O:90][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]