EVODEX.1-P1904 - Partial Reaction

SMIRKS

[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10](=[O:11])[S:12][C:13]([C:14]([N:15]([C:16](=[O:17])[C:18]([C:19]([N:20]([C:21](=[O:22])[C@:23]([O:24][H:79])([C:25]([C:26]([H:80])([H:81])[H:82])([C:27]([H:83])([H:84])[H:85])[C:28]([O:29][P:30](=[O:31])([O:32][H:86])[O:33][P:34](=[O:35])([O:36][H:87])[O:37][C:38]([C@@:39]1([H:88])[O:40][C@:41]([N:42]2:[C:43]([H:89]):[N:44]:[C:45]3:[C:46]([N:47]([H:90])[H:91]):[N:48]:[C:49]([H:92]):[N:50]:[C:51]:2:3)([H:93])[C@@:52]([O:53][H:94])([H:95])[C@@:54]1([O:55][P:56](=[O:57])([O:58][H:96])[O:59][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:131])[H:132]>>[H]C(O[C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:130])([H:131])[H:132])([H:128])[H:129])([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])=[O:11])=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])[H].[H][S:12][C:13]([C:14]([N:15]([C:16](=[O:17])[C:18]([C:19]([N:20]([C:21](=[O:22])[C@:23]([O:24][H:79])([C:25]([C:26]([H:80])([H:81])[H:82])([C:27]([H:83])([H:84])[H:85])[C:28]([O:29][P:30](=[O:31])([O:32][H:86])[O:33][P:34](=[O:35])([O:36][H:87])[O:37][C:38]([C@@:39]1([H:88])[O:40][C@:41]([N:42]2:[C:43]([H:89]):[N:44]:[C:45]3:[C:46]([N:47]([H:90])[H:91]):[N:48]:[C:49]([H:92]):[N:50]:[C:51]:2:3)([H:93])[C@@:52]([O:53][H:94])([H:95])[C@@:54]1([O:55][P:56](=[O:57])([O:58][H:96])[O:59][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]

Derived Operators

EVODEX.1-F25 - Elemental Balance

O	1
C	18
H	36

EVODEX.1-M199 - Mass Difference

268.27678000000003

EVODEX.1-E466 - Reaction Operator E

[#6:15]-[#6:16](=[#8:17])-[#16:18]-[#6:19]>>[#6:15]-[#6:16](=[#8:17])-[#8]-[#6](=[#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].[#16:18](-[#6:19])-[H]

EVODEX.1-C353 - Reaction Operator C

[#6:14]-[#16:16]>>[H]-[#6](-[#8]-[#6:14])=[#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])-[H].[H]-[#16:16]

EVODEX.1-N406 - Reaction Operator N

[#6:13]-[#6:14](=[#8:15])-[#16:16]-[#6:17]>>[H]-[#6](-[#8]-[#6:14](-[#6:13])=[#8:15])=[#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])-[H].[H]-[#16:16]-[#6:17]

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-Cm12 - Reaction Operator Cm

[#6:4]-[#16:6]>>[#8]-[#6:4].[H]-[#16:6]

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-R2592

[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10](=[O:11])[S:12][C:13]([C:14]([N:15]([C:16](=[O:17])[C:18]([C:19]([N:20]([C:21](=[O:22])[C@:23]([O:24][H:79])([C:25]([C:26]([H:80])([H:81])[H:82])([C:27]([H:83])([H:84])[H:85])[C:28]([O:29][P:30](=[O:31])([O:32][H:86])[O:33][P:34](=[O:35])([O:36][H:87])[O:37][C:38]([C@@:39]1([H:88])[O:40][C@:41]([N:42]2:[C:43]([H:89]):[N:44]:[C:45]3:[C:46]([N:47]([H:90])[H:91]):[N:48]:[C:49]([H:92]):[N:50]:[C:51]:2:3)([H:93])[C@@:52]([O:53][H:94])([H:95])[C@@:54]1([O:55][P:56](=[O:57])([O:58][H:96])[O:59][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:131])[H:132].[H][O:78][C:77](=[C:76]([C:75]([C:74]([C:73]([C:72]([C:71]([C:70]([C:69]([C:68]([C:67]([C:66]([C:65]([C:64]([C:63]([C:62]([C:61]([C:60]([H:166])([H:167])[H:168])([H:164])[H:165])([H:162])[H:163])([H:160])[H:161])([H:158])[H:159])([H:156])[H:157])([H:154])[H:155])([H:152])[H:153])([H:150])[H:151])([H:148])[H:149])([H:146])[H:147])([H:144])[H:145])([H:142])[H:143])([H:140])[H:141])([H:138])[H:139])([H:136])[H:137])[H:135])[H:134]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10](=[O:11])[O:78][C:77](=[C:76]([C:75]([C:74]([C:73]([C:72]([C:71]([C:70]([C:69]([C:68]([C:67]([C:66]([C:65]([C:64]([C:63]([C:62]([C:61]([C:60]([H:166])([H:167])[H:168])([H:164])[H:165])([H:162])[H:163])([H:160])[H:161])([H:158])[H:159])([H:156])[H:157])([H:154])[H:155])([H:152])[H:153])([H:150])[H:151])([H:148])[H:149])([H:146])[H:147])([H:144])[H:145])([H:142])[H:143])([H:140])[H:141])([H:138])[H:139])([H:136])[H:137])[H:135])[H:134])([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][S:12][C:13]([C:14]([N:15]([C:16](=[O:17])[C:18]([C:19]([N:20]([C:21](=[O:22])[C@:23]([O:24][H:79])([C:25]([C:26]([H:80])([H:81])[H:82])([C:27]([H:83])([H:84])[H:85])[C:28]([O:29][P:30](=[O:31])([O:32][H:86])[O:33][P:34](=[O:35])([O:36][H:87])[O:37][C:38]([C@@:39]1([H:88])[O:40][C@:41]([N:42]2:[C:43]([H:89]):[N:44]:[C:45]3:[C:46]([N:47]([H:90])[H:91]):[N:48]:[C:49]([H:92]):[N:50]:[C:51]:2:3)([H:93])[C@@:52]([O:53][H:94])([H:95])[C@@:54]1([O:55][P:56](=[O:57])([O:58][H:96])[O:59][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]