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EVODEX.1-P707

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial 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](=[O:19])[O:20][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]OP(=O)(O[H])OP(=O)(O[H])O[P:84]([O:83][C:82]([C@@:81]1([H:175])[O:80][C@:79]([N:78]2:[C:74]3:[N:73]:[C:72]([H:166]):[N:71]:[C:70]([N:69]([H:180])[H:181]):[C:75]:3:[N:76]:[C:77]:2[H:167])([H:168])[C@@:98]([O:99][H:178])([H:179])[C@@:96]1([O:97][H:176])[H:177])([H:173])[H:174])(=[O:85])[O:86][H:169]>>[H][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:133])([H:134])[H:135])([H:131])[H:132])([H:129])[H:130])([H:127])[H:128])([H:125])[H:126])([H:123])[H:124])([H:121])[H:122])([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])=[O:19].[O:20]([P:84]([O:83][C:82]([C@@:81]1([H:175])[O:80][C@:79]([N:78]2:[C:74]3:[N:73]:[C:72]([H:166]):[N:71]:[C:70]([N:69]([H:180])[H:181]):[C:75]:3:[N:76]:[C:77]:2[H:167])([H:168])[C@@:98]([O:99][H:178])([H:179])[C@@:96]1([O:97][H:176])[H:177])([H:173])[H:174])(=[O:85])[O:86][H:169])[H:100]

Derived Operators

EVODEX.1-F216 - Elemental Balance

P-2
O-7
H-2

EVODEX.1-M131 - Mass Difference

-175.92756

EVODEX.1-E923 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:53]-[#6:54](=[#8:55])-[#8:56]-[H:121].([#8:74]-[#15:75](=[#8:76])(-[#8:77])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H].[#8:88]-[#6@@:87](-[#6@@:72])(-[H:141])-[#6@:89](-[#6@:70])(-[#8:90])-[H:143])>>[#6:53]-[#6:54](=[#8:55])-[H].([#8:56](-[#15:75](-[#8:74])(=[#8:76])-[#8:77])-[H:121].[#8:90]-[#6@:89](-[#6@:70])(-[H:143])-[#6@@:87](-[#6@@:72])(-[#8:88])-[H:141])

EVODEX.1-C864 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:6]-[#8:8].[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:72]>>[H]-[#6:6].[#8:8]-[#15:72]

EVODEX.1-N1079 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:5]-[#6:6](=[#8:7])-[#8:8]-[H:88].[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:72](-[#8:71])(=[#8:73])-[#8:74]>>[H]-[#6:6](-[#6:5])=[#8:7].[#8:8](-[#15:72](-[#8:71])(=[#8:73])-[#8:74])-[H:88]

EVODEX.1-Em81 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:53]-[#6:54](=[#8:55])-[#8:56].[#15]-[#8]-[#15:75](-[#8:74])(=[#8:76])-[#8:77]>>[H]-[#6:54](-[#6:53])=[#8:55].[#8:56]-[#15:75](-[#8:74])(=[#8:76])-[#8:77]

EVODEX.1-Cm125 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:54]-[#8:56].[#8]-[#15:75]>>[H]-[#6:54].[#8:56]-[#15:75]

EVODEX.1-Nm105 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:53]-[#6:54](=[#8:55])-[#8:56].[#15]-[#8]-[#15:75](-[#8:74])(=[#8:76])-[#8:77]>>[H]-[#6:54](-[#6:53])=[#8:55].[#8:56]-[#15:75](-[#8:74])(=[#8:76])-[#8:77]

Source Full Reactions

EVODEX.1-R664

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](=[O:19])[O:20][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].[HH].[H][C:68]1([H:162])[C:24]([C:22]([N:21]([H:164])[H:165])=[O:23])=[C:25]([H:136])[N:26]([C@:27]2([H:137])[O:28][C@@:29]([C:30]([O:31][P:32](=[O:33])([O:34][H:138])[O:35][P:36](=[O:37])([O:38][H:139])[O:39][C:40]([C@@:41]3([H:140])[O:42][C@:43]([N:44]4:[C:45]([H:141]):[N:46]:[C:47]5:[C:48]([N:49]([H:142])[H:143]):[N:50]:[C:51]([H:144]):[N:52]:[C:53]:4:5)([H:145])[C@@:54]([O:55][P:56](=[O:57])([O:58][H:146])[O:59][H:147])([H:148])[C@@:60]3([O:61][H:149])[H:150])([H:151])[H:152])([H:153])[H:154])([H:155])[C@:62]([O:63][H:156])([H:157])[C@:64]2([O:65][H:158])[H:159])[C:66]([H:160])=[C:67]1[H:161].[N:69]([C:70]1:[N:71]:[C:72]([H:166]):[N:73]:[C:74]2:[C:75]:1:[N:76]:[C:77]([H:167]):[N:78]:2[C@:79]1([H:168])[O:80][C@@:81]([C:82]([O:83][P:84](=[O:85])([O:86][H:169])[O:87][P:88](=[O:89])([O:90][H:170])[O:91][P:92](=[O:93])([O:94][H:171])[O:95][H:172])([H:173])[H:174])([H:175])[C@:96]([O:97][H:176])([H:177])[C@:98]1([O:99][H:178])[H:179])([H:180])[H:181]>>[H][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:133])([H:134])[H:135])([H:131])[H:132])([H:129])[H:130])([H:127])[H:128])([H:125])[H:126])([H:123])[H:124])([H:121])[H:122])([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])=[O:19].[N:21]([C:22](=[O:23])[C:24]1:[C:25]([H:136]):[N+:26]([C@:27]2([H:137])[O:28][C@@:29]([C:30]([O:31][P:32](=[O:33])([O:34][H:138])[O:35][P:36](=[O:37])([O:38][H:139])[O:39][C:40]([C@@:41]3([H:140])[O:42][C@:43]([N:44]4:[C:45]([H:141]):[N:46]:[C:47]5:[C:48]([N:49]([H:142])[H:143]):[N:50]:[C:51]([H:144]):[N:52]:[C:53]:4:5)([H:145])[C@@:54]([O:55][P:56](=[O:57])([O:58][H:146])[O:59][H:147])([H:148])[C@@:60]3([O:61][H:149])[H:150])([H:151])[H:152])([H:153])[H:154])([H:155])[C@:62]([O:63][H:156])([H:157])[C@:64]2([O:65][H:158])[H:159]):[C:66]([H:160]):[C:67]([H:161]):[C:68]:1[H:162])([H:164])[H:165].[O:20]([P:84]([O:83][C:82]([C@@:81]1([H:175])[O:80][C@:79]([N:78]2:[C:74]3:[N:73]:[C:72]([H:166]):[N:71]:[C:70]([N:69]([H:180])[H:181]):[C:75]:3:[N:76]:[C:77]:2[H:167])([H:168])[C@@:98]([O:99][H:178])([H:179])[C@@:96]1([O:97][H:176])[H:177])([H:173])[H:174])(=[O:85])[O:86][H:169])[H:100].[H][O:87][P:88](=[O:89])([O:90][H:170])[O:91][P:92](=[O:93])([O:94][H:171])[O:95][H:172]