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EVODEX.1-P1702

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:22]([C:23]([C:24]([C:25]([C:26]([C:27]([C:28]([C:29]([C:30]([C:31]([C:32]([C:33]([C:34]([C:35]([C:36]([C:37](=[O:38])[S:39][C:40]([C:41]([N:42]([C:43](=[O:44])[C:45]([C:46]([N:47]([C:48](=[O:49])[C@:50]([O:51][H:124])([C:52]([C:53]([H:125])([H:126])[H:127])([C:54]([H:128])([H:129])[H:130])[C:55]([O:56][P:57](=[O:58])([O:59][H:131])[O:60][P:61](=[O:62])([O:63][H:132])[O:64][C:65]([C@@:66]1([H:133])[O:67][C@:68]([N:69]2:[C:70]([H:134]):[N:71]:[C:72]3:[C:73]([N:74]([H:135])[H:136]):[N:75]:[C:76]([H:137]):[N:77]:[C:78]:2:3)([H:138])[C@@:79]([O:80][H:139])([H:140])[C@@:81]1([O:82][P:83](=[O:84])([O:85][H:141])[O:86][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:184])([H:185])[H:186])([H:187])([H:188])[H:189]>>[H]OC([H])([H])[C@]([H])(N([H])[C:37]([C:36]([C:35]([C:34]([C:33]([C:32]([C:31]([C:30]([C:29]([C:28]([C:27]([C:26]([C:25]([C:24]([C:23]([C:22]([H:187])([H:188])[H:189])([H:185])[H:186])([H:183])[H:184])([H:181])[H:182])([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:165])[H:166])([H:163])[H:164])([H:161])[H:162])([H:159])[H:160])=[O:38])[C@]([H])(O[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])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H].[H][S:39][C:40]([C:41]([N:42]([C:43](=[O:44])[C:45]([C:46]([N:47]([C:48](=[O:49])[C@:50]([O:51][H:124])([C:52]([C:53]([H:125])([H:126])[H:127])([C:54]([H:128])([H:129])[H:130])[C:55]([O:56][P:57](=[O:58])([O:59][H:131])[O:60][P:61](=[O:62])([O:63][H:132])[O:64][C:65]([C@@:66]1([H:133])[O:67][C@:68]([N:69]2:[C:70]([H:134]):[N:71]:[C:72]3:[C:73]([N:74]([H:135])[H:136]):[N:75]:[C:76]([H:137]):[N:77]:[C:78]:2:3)([H:138])[C@@:79]([O:80][H:139])([H:140])[C@@:81]1([O:82][P:83](=[O:84])([O:85][H:141])[O:86][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]

Derived Operators

EVODEX.1-F350 - Elemental Balance

C18
O2
N1
H37

EVODEX.1-M151 - Mass Difference

299.28261000000003

EVODEX.1-E1141 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:38]-[#6:40](=[#8:41])-[#16:42]-[#6:43]>>[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](=[#6](-[#6@@](-[#8]-[H])(-[#6@@](-[#7](-[#6:40](-[#6:38])=[#8:41])-[H])(-[#6](-[#8]-[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].[#16:42](-[#6:43])-[H]

EVODEX.1-C316 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:40]-[#16:42]>>[H]-[#8]-[#6](-[H])(-[H])-[#6@](-[H])(-[#7](-[H])-[#6:40])-[#6@](-[H])(-[#8]-[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])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H].[H]-[#16:42]

EVODEX.1-N366 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:38]-[#6:40](=[#8:41])-[#16:42]-[#6:43]>>[H]-[#8]-[#6](-[H])(-[H])-[#6@](-[H])(-[#7](-[H])-[#6:40](-[#6:38])=[#8:41])-[#6@](-[H])(-[#8]-[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])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H].[H]-[#16:42]-[#6:43]

EVODEX.1-Em90 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:2]-[#6:3](=[#8:4])-[#16:5]-[#6:6]>>[#6]-[#7](-[H])-[#6:3](-[#6:2])=[#8:4].[H]-[#16:5]-[#6:6]

EVODEX.1-Cm79 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:3]-[#16:5]>>[#7]-[#6:3].[H]-[#16:5]

EVODEX.1-Nm56 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:2]-[#6:3](=[#8:4])-[#16:5]-[#6:6]>>[#6]-[#7](-[H])-[#6:3](-[#6:2])=[#8:4].[H]-[#16:5]-[#6:6]

Source Full Reactions

EVODEX.1-R2260

Full Reaction Rendering

[H][N:19]([C@:18]([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:121])([H:122])[H:123])([H:119])[H:120])([H:117])[H:118])([H:115])[H:116])([H:113])[H:114])([H:111])[H:112])([H:109])[H:110])([H:107])[H:108])([H:105])[H:106])([H:103])[H:104])([H:101])[H:102])([H:99])[H:100])([H:97])[H:98])[H:96])[H:95])([O:17][H:87])[H:94])([C:20]([O:21][H:90])([H:91])[H:92])[H:93])[H:88].[C:22]([C:23]([C:24]([C:25]([C:26]([C:27]([C:28]([C:29]([C:30]([C:31]([C:32]([C:33]([C:34]([C:35]([C:36]([C:37](=[O:38])[S:39][C:40]([C:41]([N:42]([C:43](=[O:44])[C:45]([C:46]([N:47]([C:48](=[O:49])[C@:50]([O:51][H:124])([C:52]([C:53]([H:125])([H:126])[H:127])([C:54]([H:128])([H:129])[H:130])[C:55]([O:56][P:57](=[O:58])([O:59][H:131])[O:60][P:61](=[O:62])([O:63][H:132])[O:64][C:65]([C@@:66]1([H:133])[O:67][C@:68]([N:69]2:[C:70]([H:134]):[N:71]:[C:72]3:[C:73]([N:74]([H:135])[H:136]):[N:75]:[C:76]([H:137]):[N:77]:[C:78]:2:3)([H:138])[C@@:79]([O:80][H:139])([H:140])[C@@:81]1([O:82][P:83](=[O:84])([O:85][H:141])[O:86][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:184])([H:185])[H:186])([H:187])([H:188])[H:189]>>[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]([O:17][H:87])([C@@:18]([N:19]([C:37]([C:36]([C:35]([C:34]([C:33]([C:32]([C:31]([C:30]([C:29]([C:28]([C:27]([C:26]([C:25]([C:24]([C:23]([C:22]([H:187])([H:188])[H:189])([H:185])[H:186])([H:183])[H:184])([H:181])[H:182])([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:165])[H:166])([H:163])[H:164])([H:161])[H:162])([H:159])[H:160])=[O:38])[H:88])([C:20]([O:21][H:90])([H:91])[H:92])[H:93])[H:94])[H:95])[H:96])([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][S:39][C:40]([C:41]([N:42]([C:43](=[O:44])[C:45]([C:46]([N:47]([C:48](=[O:49])[C@:50]([O:51][H:124])([C:52]([C:53]([H:125])([H:126])[H:127])([C:54]([H:128])([H:129])[H:130])[C:55]([O:56][P:57](=[O:58])([O:59][H:131])[O:60][P:61](=[O:62])([O:63][H:132])[O:64][C:65]([C@@:66]1([H:133])[O:67][C@:68]([N:69]2:[C:70]([H:134]):[N:71]:[C:72]3:[C:73]([N:74]([H:135])[H:136]):[N:75]:[C:76]([H:137]):[N:77]:[C:78]:2:3)([H:138])[C@@:79]([O:80][H:139])([H:140])[C@@:81]1([O:82][P:83](=[O:84])([O:85][H:141])[O:86][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]