SMIRKS
[H][O:79][C:78]([C@:76]([C:75]([O:74][P:71](=[O:70])([O:72][H:146])[O:73][H:147])([H:153])[H:154])([O:77][H:148])[H:152])([H:150])[H:151]>>[H]C(=C([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C(=O)[O:79][C:78]([C@:76]([C:75]([O:74][P:71](=[O:70])([O:72][H:146])[O:73][H:147])([H:153])[H:154])([O:77][H:148])[H:152])([H:150])[H:151])C([H])([H])C([H])=C([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
Derived Operators
EVODEX.1-F92 - Elemental Balance
| C | 20 |
| O | 1 |
| H | 30 |
EVODEX.1-M62 - Mass Difference
286.2298
EVODEX.1-E667 - Reaction Operator E
[#6:24]-[#8:25]-[H]>>[#6](-[#6](-[#6](-[#6](-[#6](-[#6](=[#6](-[#6](-[#6](=[#6](-[#6](-[#6](=[#6](-[#6](-[#6](=[#6](-[#6](-[#6](-[#6](-[#6](=[#8])-[#8:25]-[#6:24])(-[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-C158 - Reaction Operator C
[H]-[#8:86]>>[H]-[#6](=[#6](-[H])-[#6](-[H])(-[H])-[#6](-[H])=[#6](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8:86])-[#6](-[H])(-[H])-[#6](-[H])=[#6](-[H])-[#6](-[H])(-[H])-[#6](-[H])=[#6](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H]
EVODEX.1-N72 - Reaction Operator N
[H]-[#8:86]-[#6:85]>>[H]-[#6](=[#6](-[H])-[#6](-[H])(-[H])-[#6](-[H])=[#6](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8:86]-[#6:85])-[#6](-[H])(-[H])-[#6](-[H])=[#6](-[H])-[#6](-[H])(-[H])-[#6](-[H])=[#6](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H]
Source Full Reactions
EVODEX.1-R2078
[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])[S:22][C:23]([C:24]([N:25]([C:26](=[O:27])[C:28]([C:29]([N:30]([C:31](=[O:32])[C@:33]([O:34][H:80])([C:35]([C:36]([H:81])([H:82])[H:83])([C:37]([H:84])([H:85])[H:86])[C:38]([O:39][P:40](=[O:41])([O:42][H:87])[O:43][P:44](=[O:45])([O:46][H:88])[O:47][C:48]([C@@:49]1([H:89])[O:50][C@:51]([N:52]2:[C:53]([H:90]):[N:54]:[C:55]3:[C:56]([N:57]([H:91])[H:92]):[N:58]:[C:59]([H:93]):[N:60]:[C:61]:2:3)([H:94])[C@@:62]([O:63][H:95])([H:96])[C@@:64]1([O:65][P:66](=[O:67])([O:68][H:97])[O:69][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: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][O:79][C:78]([C@:76]([C:75]([O:74][P:71](=[O:70])([O:72][H:146])[O:73][H:147])([H:153])[H:154])([O:77][H:148])[H:152])([H:150])[H:151]>>[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])[O:79][C:78]([C@:76]([C:75]([O:74][P:71](=[O:70])([O:72][H:146])[O:73][H:147])([H:153])[H:154])([O:77][H:148])[H:152])([H:150])[H:151])([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][S:22][C:23]([C:24]([N:25]([C:26](=[O:27])[C:28]([C:29]([N:30]([C:31](=[O:32])[C@:33]([O:34][H:80])([C:35]([C:36]([H:81])([H:82])[H:83])([C:37]([H:84])([H:85])[H:86])[C:38]([O:39][P:40](=[O:41])([O:42][H:87])[O:43][P:44](=[O:45])([O:46][H:88])[O:47][C:48]([C@@:49]1([H:89])[O:50][C@:51]([N:52]2:[C:53]([H:90]):[N:54]:[C:55]3:[C:56]([N:57]([H:91])[H:92]):[N:58]:[C:59]([H:93]):[N:60]:[C:61]:2:3)([H:94])[C@@:62]([O:63][H:95])([H:96])[C@@:64]1([O:65][P:66](=[O:67])([O:68][H:97])[O:69][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]