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EVODEX.1-P524

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2]([C:3]([H:81])([H:82])[H:83])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:84])([H:85])[H:86])=[C:9]([C:10]([C:11]([C:12]([C:13]([H:87])([H:88])[H:89])([C:14]([C:15]([C:16]([C:17]([C:18]([C:19]([H:90])([H:91])[H:92])([C:20]([C:21]([C:22](=[C:23]([C:24]([H:93])([H:94])[H:95])[C:25]([C:26]([C:27](=[C:28]([C:29]([H:96])([H:97])[H:98])[C:30]([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]>>O1[C:27]([C:26]([C:25]([C:23](=[C:22]([C:21]([C:20]([C:18]([C:17]([C:16]([C:15]([C:14]([C:12]([C:11]([C:10]([C:9](=[C:7]([C:6]([C:5]([C:4](=[C:2]([C:1]([H:132])([H:133])[H:134])[C:3]([H:81])([H:82])[H:83])[H:131])([H:129])[H:130])([H:127])[H:128])[C:8]([H:84])([H:85])[H:86])[H:126])([H:124])[H:125])([H:122])[H:123])([C:13]([H:87])([H:88])[H:89])[H:121])([H:119])[H:120])([H:117])[H:118])([H:115])[H:116])([H:113])[H:114])([C:19]([H:90])([H:91])[H:92])[H:112])([H:110])[H:111])([H:108])[H:109])[H:107])[C:24]([H:93])([H:94])[H:95])([H:105])[H:106])([H:103])[H:104])([H:102])[C:28]1([C:29]([H:96])([H:97])[H:98])[C:30]([H:99])([H:100])[H:101]

Derived Operators

EVODEX.1-F10 - Elemental Balance

O1

EVODEX.1-M6 - Mass Difference

15.9949

EVODEX.1-E423 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:19](-[#6@:8])(-[#6@:17])=[#6:20](-[H:89])-[#6:21]>>[H:89]-[#6@:20]1(-[#6@@:19](-[#6@:8])(-[#6@:17])-[#8]-1)-[#6:21]

EVODEX.1-C92 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:27]=[#6:28]>>[#8]1-[#6@:27]-[#6:28]-1

EVODEX.1-N129 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:26]-[#6:27](=[#6:28](-[#6:29])-[#6:30])-[H:102]>>[#8]1-[#6@:27](-[#6:26])(-[H:102])-[#6:28]-1(-[#6:29])-[#6:30]

EVODEX.1-Em211 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:26]-[#6:27]=[#6:28](-[#6:29])-[#6:30]>>[#8]1-[#6:27](-[#6:26])-[#6:28]-1(-[#6:29])-[#6:30]

EVODEX.1-Cm118 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:27]=[#6:28]>>[#8]1-[#6:27]-[#6:28]-1

EVODEX.1-Nm211 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:26]-[#6:27]=[#6:28](-[#6:29])-[#6:30]>>[#8]1-[#6:27](-[#6:26])-[#6:28]-1(-[#6:29])-[#6:30]

Source Full Reactions

EVODEX.1-R502

Full Reaction Rendering

[C:1]([C:2]([C:3]([H:81])([H:82])[H:83])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:84])([H:85])[H:86])=[C:9]([C:10]([C:11]([C:12]([C:13]([H:87])([H:88])[H:89])([C:14]([C:15]([C:16]([C:17]([C:18]([C:19]([H:90])([H:91])[H:92])([C:20]([C:21]([C:22](=[C:23]([C:24]([H:93])([H:94])[H:95])[C:25]([C:26]([C:27](=[C:28]([C:29]([H:96])([H:97])[H:98])[C:30]([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].[HH].[H][C:78]1([H:161])[C:34]([C:32]([N:31]([H:163])[H:164])=[O:33])=[C:35]([H:135])[N:36]([C@:37]2([H:136])[O:38][C@@:39]([C:40]([O:41][P:42](=[O:43])([O:44][H:137])[O:45][P:46](=[O:47])([O:48][H:138])[O:49][C:50]([C@@:51]3([H:139])[O:52][C@:53]([N:54]4:[C:55]([H:140]):[N:56]:[C:57]5:[C:58]([N:59]([H:141])[H:142]):[N:60]:[C:61]([H:143]):[N:62]:[C:63]:4:5)([H:144])[C@@:64]([O:65][P:66](=[O:67])([O:68][H:145])[O:69][H:146])([H:147])[C@@:70]3([O:71][H:148])[H:149])([H:150])[H:151])([H:152])[H:153])([H:154])[C@:72]([O:73][H:155])([H:156])[C@:74]2([O:75][H:157])[H:158])[C:76]([H:159])=[C:77]1[H:160].[O:79]=[O:80]>>[C:1]([C:2]([C:3]([H:81])([H:82])[H:83])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:84])([H:85])[H:86])=[C:9]([C:10]([C:11]([C:12]([C:13]([H:87])([H:88])[H:89])([C:14]([C:15]([C:16]([C:17]([C:18]([C:19]([H:90])([H:91])[H:92])([C:20]([C:21]([C:22](=[C:23]([C:24]([H:93])([H:94])[H:95])[C:25]([C:26]([C:27]1([H:102])[C:28]([C:29]([H:96])([H:97])[H:98])([C:30]([H:99])([H:100])[H:101])[O:80]1)([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].[N:31]([C:32](=[O:33])[C:34]1:[C:35]([H:135]):[N+:36]([C@:37]2([H:136])[O:38][C@@:39]([C:40]([O:41][P:42](=[O:43])([O:44][H:137])[O:45][P:46](=[O:47])([O:48][H:138])[O:49][C:50]([C@@:51]3([H:139])[O:52][C@:53]([N:54]4:[C:55]([H:140]):[N:56]:[C:57]5:[C:58]([N:59]([H:141])[H:142]):[N:60]:[C:61]([H:143]):[N:62]:[C:63]:4:5)([H:144])[C@@:64]([O:65][P:66](=[O:67])([O:68][H:145])[O:69][H:146])([H:147])[C@@:70]3([O:71][H:148])[H:149])([H:150])[H:151])([H:152])[H:153])([H:154])[C@:72]([O:73][H:155])([H:156])[C@:74]2([O:75][H:157])[H:158]):[C:76]([H:159]):[C:77]([H:160]):[C:78]:1[H:161])([H:163])[H:164].[H][O:79][H]