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EVODEX.1-P1740

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:73][C:72]([C:71](=[O:70])[C:74]([O:75][P:76](=[O:77])([O:78][H:157])[O:79][H:158])([H:159])[H:160])([H:155])[H:156]>>[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])C([H])([H])C([H])([H])C([H])([H])C(=O)[O:73][C:72]([C:71](=[O:70])[C:74]([O:75][P:76](=[O:77])([O:78][H:157])[O:79][H:158])([H:159])[H:160])([H:155])[H:156]

Derived Operators

EVODEX.1-F24 - Elemental Balance

O1
C20
H38

EVODEX.1-M198 - Mass Difference

294.29244

EVODEX.1-E465 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:20]-[#8:21]-[H]>>[#6:20]-[#8:21]-[#6](-[#6](-[#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])(-[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])=[#8]

EVODEX.1-C322 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8:5]>>[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])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8:5]

EVODEX.1-N373 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:5]-[#6:4]>>[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])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8:5]-[#6:4]

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-R2333

Full Reaction Rendering

[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](=[O:21])[S:22][C:23]([C:24]([N:25]([C:26](=[O:27])[C:28]([C:29]([N:30]([C:31](=[O:32])[C@:33]([O:34][H:80])([C:35]([C:36]([H:81])([H:82])[H:83])([C:37]([H:84])([H:85])[H:86])[C:38]([O:39][P:40](=[O:41])([O:42][H:87])[O:43][P:44](=[O:45])([O:46][H:88])[O:47][C:48]([C@@:49]1([H:89])[O:50][C@:51]([N:52]2:[C:53]([H:90]):[N:54]:[C:55]3:[C:56]([N:57]([H:91])[H:92]):[N:58]:[C:59]([H:93]):[N:60]:[C:61]:2:3)([H:94])[C@@:62]([O:63][H:95])([H:96])[C@@:64]1([O:65][P:66](=[O:67])([O:68][H:97])[O:69][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: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][O:73][C:72]([C:71](=[O:70])[C:74]([O:75][P:76](=[O:77])([O:78][H:157])[O:79][H:158])([H:159])[H:160])([H:155])[H:156]>>[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](=[O:21])[O:73][C:72]([C:71](=[O:70])[C:74]([O:75][P:76](=[O:77])([O:78][H:157])[O:79][H:158])([H:159])[H:160])([H:155])[H:156])([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][S:22][C:23]([C:24]([N:25]([C:26](=[O:27])[C:28]([C:29]([N:30]([C:31](=[O:32])[C@:33]([O:34][H:80])([C:35]([C:36]([H:81])([H:82])[H:83])([C:37]([H:84])([H:85])[H:86])[C:38]([O:39][P:40](=[O:41])([O:42][H:87])[O:43][P:44](=[O:45])([O:46][H:88])[O:47][C:48]([C@@:49]1([H:89])[O:50][C@:51]([N:52]2:[C:53]([H:90]):[N:54]:[C:55]3:[C:56]([N:57]([H:91])[H:92]):[N:58]:[C:59]([H:93]):[N:60]:[C:61]:2:3)([H:94])[C@@:62]([O:63][H:95])([H:96])[C@@:64]1([O:65][P:66](=[O:67])([O:68][H:97])[O:69][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]