SMIRKS
[H][O:25][C:24]([C@@:23]([O:22][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:151])([H:152])[H:153])([H:149])[H:150])([H:147])[H:148])([H:145])[H:146])([H:143])[H:144])[H:142])[H:141])([H:139])[H:140])[H:138])[H:137])([H:135])[H:136])[H:134])[H:133])([H:131])[H:132])[H:130])[H:129])([H:127])[H:128])([H:125])[H:126])([H:123])[H:124])=[O:21])([C:26]([O:27][P:28](=[O:29])([O:30][H:106])[O:31][C:32]([C:33]([N+:34]([C:35]([H:107])([H:108])[H:109])([C:36]([H:110])([H:111])[H:112])[C:37]([H:113])([H:114])[H:115])([H:116])[H:117])([H:118])[H:119])([H:120])[H:121])[H:122])([H:104])[H:105]>>[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:25][C:24]([C@@:23]([O:22][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:151])([H:152])[H:153])([H:149])[H:150])([H:147])[H:148])([H:145])[H:146])([H:143])[H:144])[H:142])[H:141])([H:139])[H:140])[H:138])[H:137])([H:135])[H:136])[H:134])[H:133])([H:131])[H:132])[H:130])[H:129])([H:127])[H:128])([H:125])[H:126])([H:123])[H:124])=[O:21])([C:26]([O:27][P:28](=[O:29])([O:30][H:106])[O:31][C:32]([C:33]([N+:34]([C:35]([H:107])([H:108])[H:109])([C:36]([H:110])([H:111])[H:112])[C:37]([H:113])([H:114])[H:115])([H:116])[H:117])([H:118])[H:119])([H:120])[H:121])[H:122])([H:104])[H:105]
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-R2531
[H][O:25][C:24]([C@@:23]([O:22][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:151])([H:152])[H:153])([H:149])[H:150])([H:147])[H:148])([H:145])[H:146])([H:143])[H:144])[H:142])[H:141])([H:139])[H:140])[H:138])[H:137])([H:135])[H:136])[H:134])[H:133])([H:131])[H:132])[H:130])[H:129])([H:127])[H:128])([H:125])[H:126])([H:123])[H:124])=[O:21])([C:26]([O:27][P:28](=[O:29])([O:30][H:106])[O:31][C:32]([C:33]([N+:34]([C:35]([H:107])([H:108])[H:109])([C:36]([H:110])([H:111])[H:112])[C:37]([H:113])([H:114])[H:115])([H:116])[H:117])([H:118])[H:119])([H:120])[H:121])[H:122])([H:104])[H:105].[C:38]([C:39]([C:40]([C:41]([C:42]([C:43]([C:44]([C:45]([C:46]([C:47]([C:48]([C:49]([C:50]([C:51]([C:52]([C:53](=[O:54])[S:55][C:56]([C:57]([N:58]([C:59](=[O:60])[C:61]([C:62]([N:63]([C:64](=[O:65])[C@:66]([O:67][H:154])([C:68]([C:69]([H:155])([H:156])[H:157])([C:70]([H:158])([H:159])[H:160])[C:71]([O:72][P:73](=[O:74])([O:75][H:161])[O:76][P:77](=[O:78])([O:79][H:162])[O:80][C:81]([C@@:82]1([H:163])[O:83][C@:84]([N:85]2:[C:86]([H:164]):[N:87]:[C:88]3:[C:89]([N:90]([H:165])[H:166]):[N:91]:[C:92]([H:167]):[N:93]:[C:94]:2:3)([H:168])[C@@:95]([O:96][H:169])([H:170])[C@@:97]1([O:98][P:99](=[O:100])([O:101][H:171])[O:102][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])([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]>>[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:22][C@:23]([C:24]([O:25][C:53]([C:52]([C:51]([C:50]([C:49]([C:48]([C:47]([C:46]([C:45]([C:44]([C:43]([C:42]([C:41]([C:40]([C:39]([C:38]([H:217])([H:218])[H:219])([H:215])[H:216])([H:213])[H:214])([H:211])[H:212])([H:209])[H:210])([H:207])[H:208])([H:205])[H:206])([H:203])[H:204])([H:201])[H:202])([H:199])[H:200])([H:197])[H:198])([H:195])[H:196])([H:193])[H:194])([H:191])[H:192])([H:189])[H:190])=[O:54])([H:104])[H:105])([C:26]([O:27][P:28](=[O:29])([O:30][H:106])[O:31][C:32]([C:33]([N+:34]([C:35]([H:107])([H:108])[H:109])([C:36]([H:110])([H:111])[H:112])[C:37]([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])[H:150])([H:151])([H:152])[H:153].[H][S:55][C:56]([C:57]([N:58]([C:59](=[O:60])[C:61]([C:62]([N:63]([C:64](=[O:65])[C@:66]([O:67][H:154])([C:68]([C:69]([H:155])([H:156])[H:157])([C:70]([H:158])([H:159])[H:160])[C:71]([O:72][P:73](=[O:74])([O:75][H:161])[O:76][P:77](=[O:78])([O:79][H:162])[O:80][C:81]([C@@:82]1([H:163])[O:83][C@:84]([N:85]2:[C:86]([H:164]):[N:87]:[C:88]3:[C:89]([N:90]([H:165])[H:166]):[N:91]:[C:92]([H:167]):[N:93]:[C:94]:2:3)([H:168])[C@@:95]([O:96][H:169])([H:170])[C@@:97]1([O:98][P:99](=[O:100])([O:101][H:171])[O:102][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]