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EVODEX.1-P1797

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:17][C@:16]([C:15]([O:14][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:113])([H:114])[H:115])([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:95])[H:96])([H:93])[H:94])=[O:13])([H:91])[H:92])([C:18]([O:19][P:20](=[O:21])([O:22][H:86])[O:23][H:87])([H:88])[H:89])[H:90]>>[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:17][C@:16]([C:15]([O:14][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:113])([H:114])[H:115])([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:95])[H:96])([H:93])[H:94])=[O:13])([H:91])[H:92])([C:18]([O:19][P:20](=[O:21])([O:22][H:86])[O:23][H:87])([H:88])[H:89])[H:90]

Derived Operators

EVODEX.1-F132 - Elemental Balance

O1
C12
H22

EVODEX.1-M556 - Mass Difference

182.16716

EVODEX.1-E460 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:25]-[#8:26]-[H]>>[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](=[#8])-[#8:26]-[#6:25])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])(-[H])-[H]

EVODEX.1-C329 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8:22]>>[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](=[#8])-[#8:22]

EVODEX.1-N382 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:22]-[#6:21]>>[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])-[#8:22]-[#6:21]

EVODEX.1-Em8 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#8:28]-[#6:27]>>[#6]-[#6](=[#8])-[#8:28]-[#6:27]

EVODEX.1-Cm7 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#8:28]>>[#6]-[#8:28]

EVODEX.1-Nm5 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#8:28]-[#6:27]>>[#6]-[#6](=[#8])-[#8:28]-[#6:27]

Source Full Reactions

EVODEX.1-R2452

Full Reaction Rendering

[H][O:17][C@:16]([C:15]([O:14][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:113])([H:114])[H:115])([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:95])[H:96])([H:93])[H:94])=[O:13])([H:91])[H:92])([C:18]([O:19][P:20](=[O:21])([O:22][H:86])[O:23][H:87])([H:88])[H:89])[H:90].[C:24]([C:25]([C:26]([C:27]([C:28]([C:29]([C:30]([C:31]([C:32]([C:33]([C:34]([C:35](=[O:36])[S:37][C:38]([C:39]([N:40]([C:41](=[O:42])[C:43]([C:44]([N:45]([C:46](=[O:47])[C@:48]([O:49][H:116])([C:50]([C:51]([H:117])([H:118])[H:119])([C:52]([H:120])([H:121])[H:122])[C:53]([O:54][P:55](=[O:56])([O:57][H:123])[O:58][P:59](=[O:60])([O:61][H:124])[O:62][C:63]([C@@:64]1([H:125])[O:65][C@:66]([N:67]2:[C:68]([H:126]):[N:69]:[C:70]3:[C:71]([N:72]([H:127])[H:128]):[N:73]:[C:74]([H:129]):[N:75]:[C:76]:2:3)([H:130])[C@@:77]([O:78][H:131])([H:132])[C@@:79]1([O:80][P:81](=[O:82])([O:83][H:133])[O:84][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:168])([H:169])[H:170])([H:171])([H:172])[H:173]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12](=[O:13])[O:14][C:15]([C@@:16]([O:17][C:35]([C:34]([C:33]([C:32]([C:31]([C:30]([C:29]([C:28]([C:27]([C:26]([C:25]([C:24]([H:171])([H:172])[H:173])([H:169])[H:170])([H:167])[H:168])([H:165])[H:166])([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])=[O:36])([C:18]([O:19][P:20](=[O:21])([O:22][H:86])[O:23][H:87])([H:88])[H:89])[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][S:37][C:38]([C:39]([N:40]([C:41](=[O:42])[C:43]([C:44]([N:45]([C:46](=[O:47])[C@:48]([O:49][H:116])([C:50]([C:51]([H:117])([H:118])[H:119])([C:52]([H:120])([H:121])[H:122])[C:53]([O:54][P:55](=[O:56])([O:57][H:123])[O:58][P:59](=[O:60])([O:61][H:124])[O:62][C:63]([C@@:64]1([H:125])[O:65][C@:66]([N:67]2:[C:68]([H:126]):[N:69]:[C:70]3:[C:71]([N:72]([H:127])[H:128]):[N:73]:[C:74]([H:129]):[N:75]:[C:76]:2:3)([H:130])[C@@:77]([O:78][H:131])([H:132])[C@@:79]1([O:80][P:81](=[O:82])([O:83][H:133])[O:84][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]