SMIRKS
[H][O:6][C:5]([C:4]([C:2]([C:1]([H:81])([H:82])[H:83])([C:3]([H:72])([H:73])[H:74])[H:80])([H:78])[H:79])([H:76])[H:77]>>[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(=O)[O:6][C:5]([C:4]([C:2]([C:1]([H:81])([H:82])[H:83])([C:3]([H:72])([H:73])[H:74])[H:80])([H:78])[H:79])([H:76])[H:77]
Derived Operators
EVODEX.1-F16 - Elemental Balance
| O | 1 |
| C | 16 |
| H | 30 |
EVODEX.1-M194 - Mass Difference
238.2298
EVODEX.1-E454 - Reaction Operator E
[#6:59]-[#8:60]-[H]>>[#6](=[#8])(-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[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])-[#8:60]-[#6:59]
EVODEX.1-C278 - Reaction Operator C
[H]-[#8:17]>>[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](=[#8])-[#8:17]
EVODEX.1-N312 - Reaction Operator N
[H]-[#8:17]-[#6:16]>>[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](=[#8])-[#8:17]-[#6:16]
Source Full Reactions
EVODEX.1-R2570
[H][O:6][C:5]([C:4]([C:2]([C:1]([H:81])([H:82])[H:83])([C:3]([H:72])([H:73])[H:74])[H:80])([H:78])[H:79])([H:76])[H:77].[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]([C:21]([C:22](=[O:23])[S:24][C:25]([C:26]([N:27]([C:28](=[O:29])[C:30]([C:31]([N:32]([C:33](=[O:34])[C@:35]([O:36][H:84])([C:37]([C:38]([H:85])([H:86])[H:87])([C:39]([H:88])([H:89])[H:90])[C:40]([O:41][P:42](=[O:43])([O:44][H:91])[O:45][P:46](=[O:47])([O:48][H:92])[O:49][C:50]([C@@:51]1([H:93])[O:52][C@:53]([N:54]2:[C:55]([H:94]):[N:56]:[C:57]3:[C:58]([N:59]([H:95])[H:96]):[N:60]:[C:61]([H:97]):[N:62]:[C:63]:2:3)([H:98])[C@@:64]([O:65][H:99])([H:100])[C@@:66]1([O:67][P:68](=[O:69])([O:70][H:101])[O:71][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: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]>>[C:1]([C:2]([C:3]([H:72])([H:73])[H:74])([C:4]([C:5]([O:6][C:22]([C: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]([H:147])([H:148])[H:149])([H:145])[H:146])([H:143])[H:144])([H:141])[H:142])([H:139])[H:140])([H:137])[H:138])([H:135])[H:136])([H:133])[H:134])([H:131])[H:132])([H:129])[H:130])([H:127])[H:128])([H:125])[H:126])([H:123])[H:124])([H:121])[H:122])([H:119])[H:120])=[O:23])([H:76])[H:77])([H:78])[H:79])[H:80])([H:81])([H:82])[H:83].[H][S:24][C:25]([C:26]([N:27]([C:28](=[O:29])[C:30]([C:31]([N:32]([C:33](=[O:34])[C@:35]([O:36][H:84])([C:37]([C:38]([H:85])([H:86])[H:87])([C:39]([H:88])([H:89])[H:90])[C:40]([O:41][P:42](=[O:43])([O:44][H:91])[O:45][P:46](=[O:47])([O:48][H:92])[O:49][C:50]([C@@:51]1([H:93])[O:52][C@:53]([N:54]2:[C:55]([H:94]):[N:56]:[C:57]3:[C:58]([N:59]([H:95])[H:96]):[N:60]:[C:61]([H:97]):[N:62]:[C:63]:2:3)([H:98])[C@@:64]([O:65][H:99])([H:100])[C@@:66]1([O:67][P:68](=[O:69])([O:70][H:101])[O:71][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]