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EVODEX.1-P1798

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:19][C@:18]([C:17]([O:16][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])=[O:15])([H:95])[H:96])([C:20]([O:21][P:22](=[O:23])([O:24][H:90])[O:25][H:91])([H:92])[H:93])[H:94]>>[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(=O)[O:19][C@:18]([C:17]([O:16][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])=[O:15])([H:95])[H:96])([C:20]([O:21][P:22](=[O:23])([O:24][H:90])[O:25][H:91])([H:92])[H:93])[H:94]

Derived Operators

EVODEX.1-F28 - Elemental Balance

C14
O1
H26

EVODEX.1-M96 - Mass Difference

210.19848

EVODEX.1-E469 - Reaction Operator E

Reaction Operator E SMIRKS

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

EVODEX.1-C330 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N383 - Reaction Operator N

Reaction Operator N SMIRKS

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

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-R2453

Full Reaction Rendering

[H][O:19][C@:18]([C:17]([O:16][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])=[O:15])([H:95])[H:96])([C:20]([O:21][P:22](=[O:23])([O:24][H:90])[O:25][H:91])([H:92])[H:93])[H:94].[C:26]([C:27]([C:28]([C:29]([C:30]([C:31]([C:32]([C:33]([C:34]([C:35]([C:36]([C:37]([C:38]([C:39](=[O:40])[S:41][C:42]([C:43]([N:44]([C:45](=[O:46])[C:47]([C:48]([N:49]([C:50](=[O:51])[C@:52]([O:53][H:124])([C:54]([C:55]([H:125])([H:126])[H:127])([C:56]([H:128])([H:129])[H:130])[C:57]([O:58][P:59](=[O:60])([O:61][H:131])[O:62][P:63](=[O:64])([O:65][H:132])[O:66][C:67]([C@@:68]1([H:133])[O:69][C@:70]([N:71]2:[C:72]([H:134]):[N:73]:[C:74]3:[C:75]([N:76]([H:135])[H:136]):[N:77]:[C:78]([H:137]):[N:79]:[C:80]:2:3)([H:138])[C@@:81]([O:82][H:139])([H:140])[C@@:83]1([O:84][P:85](=[O:86])([O:87][H:141])[O:88][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]>>[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](=[O:15])[O:16][C:17]([C@@:18]([O:19][C:39]([C:38]([C:37]([C:36]([C:35]([C:34]([C:33]([C:32]([C:31]([C:30]([C:29]([C:28]([C:27]([C:26]([H:183])([H:184])[H:185])([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:40])([C:20]([O:21][P:22](=[O:23])([O:24][H:90])[O:25][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:41][C:42]([C:43]([N:44]([C:45](=[O:46])[C:47]([C:48]([N:49]([C:50](=[O:51])[C@:52]([O:53][H:124])([C:54]([C:55]([H:125])([H:126])[H:127])([C:56]([H:128])([H:129])[H:130])[C:57]([O:58][P:59](=[O:60])([O:61][H:131])[O:62][P:63](=[O:64])([O:65][H:132])[O:66][C:67]([C@@:68]1([H:133])[O:69][C@:70]([N:71]2:[C:72]([H:134]):[N:73]:[C:74]3:[C:75]([N:76]([H:135])[H:136]):[N:77]:[C:78]([H:137]):[N:79]:[C:80]:2:3)([H:138])[C@@:81]([O:82][H:139])([H:140])[C@@:83]1([O:84][P:85](=[O:86])([O:87][H:141])[O:88][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]