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EVODEX.1-P91

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C@@:16]1([O:17][H])[C@@:14]2([C:15]([H:88])([H:89])[H:90])[C:13]([H:86])([H:87])[C:12]([H:84])([H:85])[C@:11]3([H:83])[C@@:2]4([C:1]([H:98])([H:99])[H:100])[C:3]([H:69])([H:70])[C:4]([H:71])([H:72])[C:5]([H:73])([H:74])[C:6]([H:75])([H:76])[C@@:7]4([H:77])[C:8]([H:78])([H:79])[C:9]([H:80])([H:81])[C@@:10]3([H:82])[C@:20]2([H:97])[C:19]([H:95])([H:96])[C:18]1([H:93])[H:94]>>[C:1]([C@:2]12[C:3]([H:69])([H:70])[C:4]([H:71])([H:72])[C:5]([H:73])([H:74])[C:6]([H:75])([H:76])[C@@:7]1([H:77])[C:8]([H:78])([H:79])[C:9]([H:80])([H:81])[C@:10]1([H:82])[C@:11]2([H:83])[C:12]([H:84])([H:85])[C:13]([H:86])([H:87])[C@:14]2([C:15]([H:88])([H:89])[H:90])[C:16](=[O:17])[C:18]([H:93])([H:94])[C:19]([H:95])([H:96])[C@@:20]12[H:97])([H:98])([H:99])[H:100]

Derived Operators

EVODEX.1-F4 - Elemental Balance

H-2

EVODEX.1-M5 - Mass Difference

-2.01566

EVODEX.1-E41 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:51]-[#6@@:52](-[#8:53]-[H])(-[H])-[#6:54]>>[#6:51]-[#6:52](=[#8:53])-[#6:54]

EVODEX.1-C1179 - Reaction Operator C

Reaction Operator C SMIRKS

([H]-[#6@@:16](-[#8:17]-[H])-[#6@@:14]-[#6@:20]-[#6@@:10].[#6@@:2])>>([#6:16](-[#6@:14]-[#6@@:20]-[#6@:10])=[#8:17].[#6@:2])

EVODEX.1-N1460 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6@@:16]1(-[#8:17]-[H])-[#6@@:14](-[#6:15])(-[#6:13])-[#6@@:20](-[#6@@:10](-[#6@:11]-[#6@@:2](-[#6:1])(-[#6:3])-[#6@@:7])(-[#6:9])-[H:82])(-[H:97])-[#6:19]-[#6:18]-1>>[#6:1]-[#6@:2](-[#6:3])(-[#6@@:7])-[#6@:11]-[#6@:10](-[#6:9])(-[H:82])-[#6@:20]1(-[#6@@:14](-[#6:13])(-[#6:15])-[#6:16](=[#8:17])-[#6:18]-[#6:19]-1)-[H:97]

EVODEX.1-Em157 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:16](-[#8:17]-[H])(-[#6:14])-[#6:18]>>[#6:14]-[#6:16](=[#8:17])-[#6:18]

EVODEX.1-Cm43 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:50]-[#8:51]-[H]>>[#6:50]=[#8:51]

EVODEX.1-Nm68 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:3](-[#6:2])(-[#8:4]-[H])-[#6:5]>>[#6:2]-[#6:3](=[#8:4])-[#6:5]

Source Full Reactions

EVODEX.1-R121

Full Reaction Rendering

[H][C@@:16]1([O:17][H])[C@@:14]2([C:15]([H:88])([H:89])[H:90])[C:13]([H:86])([H:87])[C:12]([H:84])([H:85])[C@:11]3([H:83])[C@@:2]4([C:1]([H:98])([H:99])[H:100])[C:3]([H:69])([H:70])[C:4]([H:71])([H:72])[C:5]([H:73])([H:74])[C:6]([H:75])([H:76])[C@@:7]4([H:77])[C:8]([H:78])([H:79])[C:9]([H:80])([H:81])[C@@:10]3([H:82])[C@:20]2([H:97])[C:19]([H:95])([H:96])[C:18]1([H:93])[H:94].[N:21]([C:22](=[O:23])[C:24]1:[C:25]([H:101]):[C:26]([H:102]):[C:27]([H:103]):[N+:28]([C@:29]2([H:104])[O:30][C@@:31]([C:32]([O:33][P:34](=[O:35])([O:36][H:105])[O:37][P:38](=[O:39])([O:40][H:106])[O:41][C:42]([C@@:43]3([H:107])[O:44][C@:45]([N:46]4:[C:47]([H:108]):[N:48]:[C:49]5:[C:50]([N:51]([H:109])[H:110]):[N:52]:[C:53]([H:111]):[N:54]:[C:55]:4:5)([H:112])[C@@:56]([O:57][P:58](=[O:59])([O:60][H:113])[O:61][H:114])([H:115])[C@@:62]3([O:63][H:116])[H:117])([H:118])[H:119])([H:120])[H:121])([H:122])[C@:64]([O:65][H:123])([H:124])[C@:66]2([O:67][H:125])[H:126]):[C:68]:1[H:127])([H:128])[H:129]>>[C:1]([C@:2]12[C:3]([H:69])([H:70])[C:4]([H:71])([H:72])[C:5]([H:73])([H:74])[C:6]([H:75])([H:76])[C@@:7]1([H:77])[C:8]([H:78])([H:79])[C:9]([H:80])([H:81])[C@:10]1([H:82])[C@:11]2([H:83])[C:12]([H:84])([H:85])[C:13]([H:86])([H:87])[C@:14]2([C:15]([H:88])([H:89])[H:90])[C:16](=[O:17])[C:18]([H:93])([H:94])[C:19]([H:95])([H:96])[C@@:20]12[H:97])([H:98])([H:99])[H:100].[HH].[H][C:25]1([H:101])[C:24]([C:22]([N:21]([H:128])[H:129])=[O:23])=[C:68]([H:127])[N:28]([C@:29]2([H:104])[O:30][C@@:31]([C:32]([O:33][P:34](=[O:35])([O:36][H:105])[O:37][P:38](=[O:39])([O:40][H:106])[O:41][C:42]([C@@:43]3([H:107])[O:44][C@:45]([N:46]4:[C:47]([H:108]):[N:48]:[C:49]5:[C:50]([N:51]([H:109])[H:110]):[N:52]:[C:53]([H:111]):[N:54]:[C:55]:4:5)([H:112])[C@@:56]([O:57][P:58](=[O:59])([O:60][H:113])[O:61][H:114])([H:115])[C@@:62]3([O:63][H:116])[H:117])([H:118])[H:119])([H:120])[H:121])([H:122])[C@:64]([O:65][H:123])([H:124])[C@:66]2([O:67][H:125])[H:126])[C:27]([H:103])=[C:26]1[H:102]