EVODEX.1-P1941 - Partial Reaction

SMIRKS

[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]([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:92])([C:37]([C:38]([H:93])([H:94])[H:95])([C:39]([H:96])([H:97])[H:98])[C:40]([O:41][P:42](=[O:43])([O:44][H:99])[O:45][P:46](=[O:47])([O:48][H:100])[O:49][C:50]([C@@:51]1([H:101])[O:52][C@:53]([N:54]2:[C:55]([H:102]):[N:56]:[C:57]3:[C:58]([N:59]([H:103])[H:104]):[N:60]:[C:61]([H:105]):[N:62]:[C:63]:2:3)([H:106])[C@@:64]([O:65][H:107])([H:108])[C@@:66]1([O:67][P:68](=[O:69])([O:70][H:109])[O:71][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])[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]O[C@@]([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])O[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]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:165])([H:166])[H:167])([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])[H:150])[H:149])([H:147])[H:148])([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])=[O:23])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H].[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:92])([C:37]([C:38]([H:93])([H:94])[H:95])([C:39]([H:96])([H:97])[H:98])[C:40]([O:41][P:42](=[O:43])([O:44][H:99])[O:45][P:46](=[O:47])([O:48][H:100])[O:49][C:50]([C@@:51]1([H:101])[O:52][C@:53]([N:54]2:[C:55]([H:102]):[N:56]:[C:57]3:[C:58]([N:59]([H:103])[H:104]):[N:60]:[C:61]([H:105]):[N:62]:[C:63]:2:3)([H:106])[C@@:64]([O:65][H:107])([H:108])[C@@:66]1([O:67][P:68](=[O:69])([O:70][H:109])[O:71][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]

Derived Operators

EVODEX.1-F80 - Elemental Balance

O	2
C	18
H	36

EVODEX.1-M221 - Mass Difference

284.27168

EVODEX.1-E648 - Reaction Operator E

[#6:17]-[#6:18](=[#8:19])-[#16:20]-[#6:21]>>[#6:17]-[#6:18](=[#8:19])-[#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])(-[#8]-[H])-[H])(-[H])-[H])-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H].[#16:20](-[#6:21])-[H]

EVODEX.1-C356 - Reaction Operator C

[#6:18]-[#16:20]>>[H]-[#8]-[#6@@](-[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])-[#8]-[#6:18])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H].[H]-[#16:20]

EVODEX.1-N409 - Reaction Operator N

[#6:17]-[#6:18](=[#8:19])-[#16:20]-[#6:21]>>[H]-[#8]-[#6@@](-[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])-[#8]-[#6:18](-[#6:17])=[#8:19])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H].[H]-[#16:20]-[#6:21]

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-R2615

[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]([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:92])([C:37]([C:38]([H:93])([H:94])[H:95])([C:39]([H:96])([H:97])[H:98])[C:40]([O:41][P:42](=[O:43])([O:44][H:99])[O:45][P:46](=[O:47])([O:48][H:100])[O:49][C:50]([C@@:51]1([H:101])[O:52][C@:53]([N:54]2:[C:55]([H:102]):[N:56]:[C:57]3:[C:58]([N:59]([H:103])[H:104]):[N:60]:[C:61]([H:105]):[N:62]:[C:63]:2:3)([H:106])[C@@:64]([O:65][H:107])([H:108])[C@@:66]1([O:67][P:68](=[O:69])([O:70][H:109])[O:71][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])[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][O:91][C:90]([C:89]([C:88]([C:87]([C:86]([C:85]([C:84]([C:83]([C:82](=[C:81]([C:80]([C@@:78]([C:77]([C:76]([C:75]([C:74]([C:73]([C:72]([H:201])([H:202])[H:203])([H:199])[H:200])([H:197])[H:198])([H:195])[H:196])([H:193])[H:194])([H:191])[H:192])([O:79][H:168])[H:190])([H:188])[H:189])[H:187])[H:186])([H:184])[H:185])([H:182])[H:183])([H:180])[H:181])([H:178])[H:179])([H:176])[H:177])([H:174])[H:175])([H:172])[H:173])([H:170])[H:171]>>[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]([C:21]([C:22](=[O:23])[O:91][C:90]([C:89]([C:88]([C:87]([C:86]([C:85]([C:84]([C:83]([C:82](=[C:81]([C:80]([C@@:78]([C:77]([C:76]([C:75]([C:74]([C:73]([C:72]([H:201])([H:202])[H:203])([H:199])[H:200])([H:197])[H:198])([H:195])[H:196])([H:193])[H:194])([H:191])[H:192])([O:79][H:168])[H:190])([H:188])[H:189])[H:187])[H:186])([H:184])[H:185])([H:182])[H:183])([H:180])[H:181])([H:178])[H:179])([H:176])[H:177])([H:174])[H:175])([H:172])[H:173])([H:170])[H:171])([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][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:92])([C:37]([C:38]([H:93])([H:94])[H:95])([C:39]([H:96])([H:97])[H:98])[C:40]([O:41][P:42](=[O:43])([O:44][H:99])[O:45][P:46](=[O:47])([O:48][H:100])[O:49][C:50]([C@@:51]1([H:101])[O:52][C@:53]([N:54]2:[C:55]([H:102]):[N:56]:[C:57]3:[C:58]([N:59]([H:103])[H:104]):[N:60]:[C:61]([H:105]):[N:62]:[C:63]:2:3)([H:106])[C@@:64]([O:65][H:107])([H:108])[C@@:66]1([O:67][P:68](=[O:69])([O:70][H:109])[O:71][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]