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EVODEX.1-P714

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](=[O:13])[O:14][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]OP(=O)(O[H])OP(=O)(O[H])O[P:78]([O:77][C:76]([C@@:75]1([H:157])[O:74][C@:73]([N:72]2:[C:68]3:[N:67]:[C:66]([H:148]):[N:65]:[C:64]([N:63]([H:162])[H:163]):[C:69]:3:[N:70]:[C:71]:2[H:149])([H:150])[C@@:92]([O:93][H:160])([H:161])[C@@:90]1([O:91][H:158])[H:159])([H:155])[H:156])(=[O:79])[O:80][H:151]>>[H][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:115])([H:116])[H:117])([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:95])[H:96])=[O:13].[O:14]([P:78]([O:77][C:76]([C@@:75]1([H:157])[O:74][C@:73]([N:72]2:[C:68]3:[N:67]:[C:66]([H:148]):[N:65]:[C:64]([N:63]([H:162])[H:163]):[C:69]:3:[N:70]:[C:71]:2[H:149])([H:150])[C@@:92]([O:93][H:160])([H:161])[C@@:90]1([O:91][H:158])[H:159])([H:155])[H:156])(=[O:79])[O:80][H:151])[H:94]

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-R670

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](=[O:13])[O:14][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].[HH].[H][C:62]1([H:144])[C:18]([C:16]([N:15]([H:146])[H:147])=[O:17])=[C:19]([H:118])[N:20]([C@:21]2([H:119])[O:22][C@@:23]([C:24]([O:25][P:26](=[O:27])([O:28][H:120])[O:29][P:30](=[O:31])([O:32][H:121])[O:33][C:34]([C@@:35]3([H:122])[O:36][C@:37]([N:38]4:[C:39]([H:123]):[N:40]:[C:41]5:[C:42]([N:43]([H:124])[H:125]):[N:44]:[C:45]([H:126]):[N:46]:[C:47]:4:5)([H:127])[C@@:48]([O:49][P:50](=[O:51])([O:52][H:128])[O:53][H:129])([H:130])[C@@:54]3([O:55][H:131])[H:132])([H:133])[H:134])([H:135])[H:136])([H:137])[C@:56]([O:57][H:138])([H:139])[C@:58]2([O:59][H:140])[H:141])[C:60]([H:142])=[C:61]1[H:143].[N:63]([C:64]1:[N:65]:[C:66]([H:148]):[N:67]:[C:68]2:[C:69]:1:[N:70]:[C:71]([H:149]):[N:72]:2[C@:73]1([H:150])[O:74][C@@:75]([C:76]([O:77][P:78](=[O:79])([O:80][H:151])[O:81][P:82](=[O:83])([O:84][H:152])[O:85][P:86](=[O:87])([O:88][H:153])[O:89][H:154])([H:155])[H:156])([H:157])[C@:90]([O:91][H:158])([H:159])[C@:92]1([O:93][H:160])[H:161])([H:162])[H:163]>>[H][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:115])([H:116])[H:117])([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:95])[H:96])=[O:13].[N:15]([C:16](=[O:17])[C:18]1:[C:19]([H:118]):[N+:20]([C@:21]2([H:119])[O:22][C@@:23]([C:24]([O:25][P:26](=[O:27])([O:28][H:120])[O:29][P:30](=[O:31])([O:32][H:121])[O:33][C:34]([C@@:35]3([H:122])[O:36][C@:37]([N:38]4:[C:39]([H:123]):[N:40]:[C:41]5:[C:42]([N:43]([H:124])[H:125]):[N:44]:[C:45]([H:126]):[N:46]:[C:47]:4:5)([H:127])[C@@:48]([O:49][P:50](=[O:51])([O:52][H:128])[O:53][H:129])([H:130])[C@@:54]3([O:55][H:131])[H:132])([H:133])[H:134])([H:135])[H:136])([H:137])[C@:56]([O:57][H:138])([H:139])[C@:58]2([O:59][H:140])[H:141]):[C:60]([H:142]):[C:61]([H:143]):[C:62]:1[H:144])([H:146])[H:147].[O:14]([P:78]([O:77][C:76]([C@@:75]1([H:157])[O:74][C@:73]([N:72]2:[C:68]3:[N:67]:[C:66]([H:148]):[N:65]:[C:64]([N:63]([H:162])[H:163]):[C:69]:3:[N:70]:[C:71]:2[H:149])([H:150])[C@@:92]([O:93][H:160])([H:161])[C@@:90]1([O:91][H:158])[H:159])([H:155])[H:156])(=[O:79])[O:80][H:151])[H:94].[H][O:81][P:82](=[O:83])([O:84][H:152])[O:85][P:86](=[O:87])([O:88][H:153])[O:89][H:154]