SMIRKS
[C:45]([C:46]([C:47]([C:48]([C:49]([C:50]([C:51]([C:52]([C:53]([C:54]([C:55]([C:56]([C:57]([C:58]([C:59]([C:60]([C:61]([C:62](=[O:63])[S:64][C:65]([C:66]([N:67]([C:68](=[O:69])[C:70]([C:71]([N:72]([C:73](=[O:74])[C@:75]([O:76][H:184])([C:77]([C:78]([H:185])([H:186])[H:187])([C:79]([H:188])([H:189])[H:190])[C:80]([O:81][P:82](=[O:83])([O:84][H:191])[O:85][P:86](=[O:87])([O:88][H:192])[O:89][C:90]([C@@:91]1([H:193])[O:92][C@:93]([N:94]2:[C:95]([H:194]):[N:96]:[C:97]3:[C:98]([N:99]([H:195])[H:196]):[N:100]:[C:101]([H:197]):[N:102]:[C:103]:2:3)([H:198])[C@@:104]([O:105][H:199])([H:200])[C@@:106]1([O:107][P:108](=[O:109])([O:110][H:201])[O:111][H:202])[H:203])([H:204])[H:205])([H:206])[H:207])[H:208])[H:209])([H:210])[H:211])([H:212])[H:213])[H:214])([H:215])[H:216])([H:217])[H:218])([H:219])[H:220])([H:221])[H:222])([H:223])[H:224])([H:225])[H:226])([H:227])[H:228])([H:229])[H:230])([H:231])[H:232])([H:233])[H:234])([H:235])[H:236])([H:237])[H:238])([H:239])[H:240])([H:241])[H:242])([H:243])[H:244])([H:245])[H:246])([H:247])[H:248])([H:249])[H:250])([H:251])([H:252])[H:253]>>[H]C(=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])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)OC([H])([H])C([H])(OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([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])[H])C([H])([H])O[C:62]([C:61]([C:60]([C:59]([C:58]([C:57]([C:56]([C:55]([C:54]([C:53]([C:52]([C:51]([C:50]([C:49]([C:48]([C:47]([C:46]([C:45]([H:251])([H:252])[H:253])([H:249])[H:250])([H:247])[H:248])([H:245])[H:246])([H:243])[H:244])([H:241])[H:242])([H:239])[H:240])([H:237])[H:238])([H:235])[H:236])([H:233])[H:234])([H:231])[H:232])([H:229])[H:230])([H:227])[H:228])([H:225])[H:226])([H:223])[H:224])([H:221])[H:222])([H:219])[H:220])=[O:63].[H][S:64][C:65]([C:66]([N:67]([C:68](=[O:69])[C:70]([C:71]([N:72]([C:73](=[O:74])[C@:75]([O:76][H:184])([C:77]([C:78]([H:185])([H:186])[H:187])([C:79]([H:188])([H:189])[H:190])[C:80]([O:81][P:82](=[O:83])([O:84][H:191])[O:85][P:86](=[O:87])([O:88][H:192])[O:89][C:90]([C@@:91]1([H:193])[O:92][C@:93]([N:94]2:[C:95]([H:194]):[N:96]:[C:97]3:[C:98]([N:99]([H:195])[H:196]):[N:100]:[C:101]([H:197]):[N:102]:[C:103]:2:3)([H:198])[C@@:104]([O:105][H:199])([H:200])[C@@:106]1([O:107][P:108](=[O:109])([O:110][H:201])[O:111][H:202])[H:203])([H:204])[H:205])([H:206])[H:207])[H:208])[H:209])([H:210])[H:211])([H:212])[H:213])[H:214])([H:215])[H:216])([H:217])[H:218]
Derived Operators
EVODEX.1-F330 - Elemental Balance
| C | 39 |
| O | 5 |
| H | 72 |
EVODEX.1-M339 - Mass Difference
620.53826
EVODEX.1-E1117 - Reaction Operator E
[#6:55]-[#6:56](=[#8:57])-[#16:58]-[#6:59]>>[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](=[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](=[#8])-[#8]-[#6](-[#6@](-[#6](-[#8]-[#6:56](-[#6:55])=[#8:57])(-[H])-[H])(-[#8]-[#6](=[#8])-[#6](-[#6](-[#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])(-[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])-[H].[#16:58](-[#6:59])-[H]
EVODEX.1-C311 - Reaction Operator C
[#6:56]-[#16:58]>>[H]-[#6](=[#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])-[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]-[#6](-[H])(-[H])-[#6@@](-[H])(-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[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])-[H])-[#6](-[H])(-[H])-[#8]-[#6:56].[H]-[#16:58]
EVODEX.1-N361 - Reaction Operator N
[#6:55]-[#6:56](=[#8:57])-[#16:58]-[#6:59]>>[H]-[#6](=[#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])-[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]-[#6](-[H])(-[H])-[#6@@](-[H])(-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[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])-[H])-[#6](-[H])(-[H])-[#8]-[#6:56](-[#6:55])=[#8:57].[H]-[#16:58]-[#6:59]
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-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-R2220
[H][O:24][C:23]([C:22]([C:21]([O:20][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:181])([H:182])[H:183])([H:179])[H:180])([H:177])[H:178])([H:175])[H:176])([H:173])[H:174])([H:171])[H:172])([H:169])[H:170])([H:167])[H:168])[H:166])[H:165])([H:163])[H:164])([H:161])[H:162])([H:159])[H:160])([H:157])[H:158])([H:155])[H:156])([H:153])[H:154])([H:151])[H:152])=[O:19])([H:149])[H:150])([O:25][C:26](=[O: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]([C:42]([C:43]([C:44]([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:113])[H:114].[C:45]([C:46]([C:47]([C:48]([C:49]([C:50]([C:51]([C:52]([C:53]([C:54]([C:55]([C:56]([C:57]([C:58]([C:59]([C:60]([C:61]([C:62](=[O:63])[S:64][C:65]([C:66]([N:67]([C:68](=[O:69])[C:70]([C:71]([N:72]([C:73](=[O:74])[C@:75]([O:76][H:184])([C:77]([C:78]([H:185])([H:186])[H:187])([C:79]([H:188])([H:189])[H:190])[C:80]([O:81][P:82](=[O:83])([O:84][H:191])[O:85][P:86](=[O:87])([O:88][H:192])[O:89][C:90]([C@@:91]1([H:193])[O:92][C@:93]([N:94]2:[C:95]([H:194]):[N:96]:[C:97]3:[C:98]([N:99]([H:195])[H:196]):[N:100]:[C:101]([H:197]):[N:102]:[C:103]:2:3)([H:198])[C@@:104]([O:105][H:199])([H:200])[C@@:106]1([O:107][P:108](=[O:109])([O:110][H:201])[O:111][H:202])[H:203])([H:204])[H:205])([H:206])[H:207])[H:208])[H:209])([H:210])[H:211])([H:212])[H:213])[H:214])([H:215])[H:216])([H:217])[H:218])([H:219])[H:220])([H:221])[H:222])([H:223])[H:224])([H:225])[H:226])([H:227])[H:228])([H:229])[H:230])([H:231])[H:232])([H:233])[H:234])([H:235])[H:236])([H:237])[H:238])([H:239])[H:240])([H:241])[H:242])([H:243])[H:244])([H:245])[H:246])([H:247])[H:248])([H:249])[H:250])([H:251])([H:252])[H:253]>>[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])[O:20][C:21]([C:22]([C:23]([O:24][C:62]([C:61]([C:60]([C:59]([C:58]([C:57]([C:56]([C:55]([C:54]([C:53]([C:52]([C:51]([C:50]([C:49]([C:48]([C:47]([C:46]([C:45]([H:251])([H:252])[H:253])([H:249])[H:250])([H:247])[H:248])([H:245])[H:246])([H:243])[H:244])([H:241])[H:242])([H:239])[H:240])([H:237])[H:238])([H:235])[H:236])([H:233])[H:234])([H:231])[H:232])([H:229])[H:230])([H:227])[H:228])([H:225])[H:226])([H:223])[H:224])([H:221])[H:222])([H:219])[H:220])=[O:63])([H:113])[H:114])([O:25][C:26](=[O: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]([C:42]([C:43]([C:44]([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])[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][S:64][C:65]([C:66]([N:67]([C:68](=[O:69])[C:70]([C:71]([N:72]([C:73](=[O:74])[C@:75]([O:76][H:184])([C:77]([C:78]([H:185])([H:186])[H:187])([C:79]([H:188])([H:189])[H:190])[C:80]([O:81][P:82](=[O:83])([O:84][H:191])[O:85][P:86](=[O:87])([O:88][H:192])[O:89][C:90]([C@@:91]1([H:193])[O:92][C@:93]([N:94]2:[C:95]([H:194]):[N:96]:[C:97]3:[C:98]([N:99]([H:195])[H:196]):[N:100]:[C:101]([H:197]):[N:102]:[C:103]:2:3)([H:198])[C@@:104]([O:105][H:199])([H:200])[C@@:106]1([O:107][P:108](=[O:109])([O:110][H:201])[O:111][H:202])[H:203])([H:204])[H:205])([H:206])[H:207])[H:208])[H:209])([H:210])[H:211])([H:212])[H:213])[H:214])([H:215])[H:216])([H:217])[H:218]