EVODEX.1-P1969 - 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](=[O:19])[S:20][C:21]([C:22]([N:23]([C:24](=[O:25])[C:26]([C:27]([N:28]([C:29](=[O:30])[C@:31]([O:32][H:85])([C:33]([C:34]([H:86])([H:87])[H:88])([C:35]([H:89])([H:90])[H:91])[C:36]([O:37][P:38](=[O:39])([O:40][H:92])[O:41][P:42](=[O:43])([O:44][H:93])[O:45][C:46]([C@@:47]1([H:94])[O:48][C@:49]([N:50]2:[C:51]([H:95]):[N:52]:[C:53]3:[C:54]([N:55]([H:96])[H:97]):[N:56]:[C:57]([H:98]):[N:58]:[C:59]:2:3)([H:99])[C@@:60]([O:61][H:100])([H:101])[C@@:62]1([O:63][P:64](=[O:65])([O:66][H:102])[O:67][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:146])[H:147])([H:148])([H:149])[H:150]>>[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])O[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:148])([H:149])[H:150])([H:146])[H:147])([H:144])[H:145])([H:142])[H:143])([H:140])[H:141])[H:139])[H:138])([H:136])[H:137])[H:135])[H:134])([H:132])[H:133])([H:130])[H:131])([H:128])[H:129])([H:126])[H:127])([H:124])[H:125])([H:122])[H:123])([H:120])[H:121])=[O:19].[H][S:20][C:21]([C:22]([N:23]([C:24](=[O:25])[C:26]([C:27]([N:28]([C:29](=[O:30])[C@:31]([O:32][H:85])([C:33]([C:34]([H:86])([H:87])[H:88])([C:35]([H:89])([H:90])[H:91])[C:36]([O:37][P:38](=[O:39])([O:40][H:92])[O:41][P:42](=[O:43])([O:44][H:93])[O:45][C:46]([C@@:47]1([H:94])[O:48][C@:49]([N:50]2:[C:51]([H:95]):[N:52]:[C:53]3:[C:54]([N:55]([H:96])[H:97]):[N:56]:[C:57]([H:98]):[N:58]:[C:59]:2:3)([H:99])[C@@:60]([O:61][H:100])([H:101])[C@@:62]1([O:63][P:64](=[O:65])([O:66][H:102])[O:67][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]

Derived Operators

EVODEX.1-F339 - Elemental Balance

O	1
C	16
H	34

EVODEX.1-M348 - Mass Difference

242.26112

EVODEX.1-E1126 - Reaction Operator E

[#6:7]-[#6:8](=[#8:9])-[#16:10]-[#6:11]>>[#6:7]-[#6:8](=[#8:9])-[#8]-[#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].[#16:10](-[#6:11])-[H]

EVODEX.1-C312 - Reaction Operator C

[#6:20]-[#16:22]>>[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])-[#8]-[#6:20].[H]-[#16:22]

EVODEX.1-N362 - Reaction Operator N

[#6:19]-[#6:20](=[#8:21])-[#16:22]-[#6:23]>>[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])-[#8]-[#6:20](-[#6:19])=[#8:21].[H]-[#16:22]-[#6:23]

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-R2633

[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])[S:20][C:21]([C:22]([N:23]([C:24](=[O:25])[C:26]([C:27]([N:28]([C:29](=[O:30])[C@:31]([O:32][H:85])([C:33]([C:34]([H:86])([H:87])[H:88])([C:35]([H:89])([H:90])[H:91])[C:36]([O:37][P:38](=[O:39])([O:40][H:92])[O:41][P:42](=[O:43])([O:44][H:93])[O:45][C:46]([C@@:47]1([H:94])[O:48][C@:49]([N:50]2:[C:51]([H:95]):[N:52]:[C:53]3:[C:54]([N:55]([H:96])[H:97]):[N:56]:[C:57]([H:98]):[N:58]:[C:59]:2:3)([H:99])[C@@:60]([O:61][H:100])([H:101])[C@@:62]1([O:63][P:64](=[O:65])([O:66][H:102])[O:67][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:146])[H:147])([H:148])([H:149])[H:150].[H][O:84][C:83]([C:82]([C:81]([C:80]([C:79]([C:78]([C:77]([C:76]([C:75]([C:74]([C:73]([C:72]([C:71]([C:70]([C:69]([C:68]([H:182])([H:183])[H:184])([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:168])[H:169])([H:166])[H:167])([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]>>[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:84][C:83]([C:82]([C:81]([C:80]([C:79]([C:78]([C:77]([C:76]([C:75]([C:74]([C:73]([C:72]([C:71]([C:70]([C:69]([C:68]([H:182])([H:183])[H:184])([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:168])[H:169])([H:166])[H:167])([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: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][S:20][C:21]([C:22]([N:23]([C:24](=[O:25])[C:26]([C:27]([N:28]([C:29](=[O:30])[C@:31]([O:32][H:85])([C:33]([C:34]([H:86])([H:87])[H:88])([C:35]([H:89])([H:90])[H:91])[C:36]([O:37][P:38](=[O:39])([O:40][H:92])[O:41][P:42](=[O:43])([O:44][H:93])[O:45][C:46]([C@@:47]1([H:94])[O:48][C@:49]([N:50]2:[C:51]([H:95]):[N:52]:[C:53]3:[C:54]([N:55]([H:96])[H:97]):[N:56]:[C:57]([H:98]):[N:58]:[C:59]:2:3)([H:99])[C@@:60]([O:61][H:100])([H:101])[C@@:62]1([O:63][P:64](=[O:65])([O:66][H:102])[O:67][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]