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EVODEX.1-P39

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:23]([C:21]([C@:20]1([H:95])[C@@:2]2([C:1]([H:96])([H:97])[H:98])[C:3]([H:69])([H:70])[C:4]([H:71])([H:72])[C@@:5]3([H:73])[C@@:6]([H:74])([C:7]([H:75])([H:76])[C:8]([H:77])([H:78])[C:9]4=[C:10]([H:79])[C:11](=[O:12])[C:13]([H:80])([H:81])[C:14]([H:82])([H:83])[C@:15]34[C:16]([H:84])([H:85])[H:86])[C@:17]2([H:87])[C:18]([H:88])([H:89])[C:19]1([H:90])[H:91])=[O:22])([O:24][H])[H:93]>>[C:1]([C@:2]12[C:3]([H:69])([H:70])[C:4]([H:71])([H:72])[C@@:5]3([H:73])[C@@:6]([H:74])([C:7]([H:75])([H:76])[C:8]([H:77])([H:78])[C:9]4=[C:10]([H:79])[C:11](=[O:12])[C:13]([H:80])([H:81])[C:14]([H:82])([H:83])[C@:15]34[C:16]([H:84])([H:85])[H:86])[C@:17]1([H:87])[C:18]([H:88])([H:89])[C:19]([H:90])([H:91])[C@@:20]2([C:21](=[O:22])[C:23](=[O:24])[H:93])[H:95])([H:96])([H:97])[H:98]

Derived Operators

EVODEX.1-F4 - Elemental Balance

H-2

EVODEX.1-M5 - Mass Difference

-2.01566

EVODEX.1-E46 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:8](=[#8:9])-[#6:10](-[#8:11])(-[H:20])-[H]>>[#6:8](-[#8:9]-[H])=[#6:10](-[#8:11])-[H:20]

EVODEX.1-C1038 - Reaction Operator C

Reaction Operator C SMIRKS

([H]-[#6:24]-[#8:25]-[H].[#6@:21]-[#6@@:2])>>([#6:24]=[#8:25].[#6@:2]-[#6@@:21])

EVODEX.1-N1291 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:24](-[#6:22]-[#6@:21](-[H:96])(-[#6@@:2](-[#6:1])(-[#6:3])-[#6@:18])-[#6:20])(-[#8:25]-[H])-[H:94]>>[#6:1]-[#6@:2](-[#6:3])(-[#6@:18])-[#6@:21](-[#6:20])(-[#6:22]-[#6:24](=[#8:25])-[H:94])-[H:96]

EVODEX.1-Em151 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm43 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm51 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:7](-[#6:6])-[#8:8]-[H]>>[#6:6]-[#6:7]=[#8:8]

Source Full Reactions

EVODEX.1-R47

Full Reaction Rendering

[H][C:23]([C:21]([C@:20]1([H:95])[C@@:2]2([C:1]([H:96])([H:97])[H:98])[C:3]([H:69])([H:70])[C:4]([H:71])([H:72])[C@@:5]3([H:73])[C@@:6]([H:74])([C:7]([H:75])([H:76])[C:8]([H:77])([H:78])[C:9]4=[C:10]([H:79])[C:11](=[O:12])[C:13]([H:80])([H:81])[C:14]([H:82])([H:83])[C@:15]34[C:16]([H:84])([H:85])[H:86])[C@:17]2([H:87])[C:18]([H:88])([H:89])[C:19]1([H:90])[H:91])=[O:22])([O:24][H])[H:93].[N:25]([C:26](=[O:27])[C:28]1:[C:29]([H:99]):[C:30]([H:100]):[C:31]([H:101]):[N+:32]([C@:33]2([H:102])[O:34][C@@:35]([C:36]([O:37][P:38](=[O:39])([O:40][H:103])[O:41][P:42](=[O:43])([O:44][H:104])[O:45][C:46]([C@@:47]3([H:105])[O:48][C@:49]([N:50]4:[C:51]([H:106]):[N:52]:[C:53]5:[C:54]([N:55]([H:107])[H:108]):[N:56]:[C:57]([H:109]):[N:58]:[C:59]:4:5)([H:110])[C@@:60]([O:61][H:111])([H:112])[C@@:62]3([O:63][H:113])[H:114])([H:115])[H:116])([H:117])[H:118])([H:119])[C@:64]([O:65][H:120])([H:121])[C@:66]2([O:67][H:122])[H:123]):[C:68]:1[H:124])([H:125])[H:126]>>[C:1]([C@:2]12[C:3]([H:69])([H:70])[C:4]([H:71])([H:72])[C@@:5]3([H:73])[C@@:6]([H:74])([C:7]([H:75])([H:76])[C:8]([H:77])([H:78])[C:9]4=[C:10]([H:79])[C:11](=[O:12])[C:13]([H:80])([H:81])[C:14]([H:82])([H:83])[C@:15]34[C:16]([H:84])([H:85])[H:86])[C@:17]1([H:87])[C:18]([H:88])([H:89])[C:19]([H:90])([H:91])[C@@:20]2([C:21](=[O:22])[C:23](=[O:24])[H:93])[H:95])([H:96])([H:97])[H:98].[HH].[H][C:29]1([H:99])[C:28]([C:26]([N:25]([H:125])[H:126])=[O:27])=[C:68]([H:124])[N:32]([C@:33]2([H:102])[O:34][C@@:35]([C:36]([O:37][P:38](=[O:39])([O:40][H:103])[O:41][P:42](=[O:43])([O:44][H:104])[O:45][C:46]([C@@:47]3([H:105])[O:48][C@:49]([N:50]4:[C:51]([H:106]):[N:52]:[C:53]5:[C:54]([N:55]([H:107])[H:108]):[N:56]:[C:57]([H:109]):[N:58]:[C:59]:4:5)([H:110])[C@@:60]([O:61][H:111])([H:112])[C@@:62]3([O:63][H:113])[H:114])([H:115])[H:116])([H:117])[H:118])([H:119])[C@:64]([O:65][H:120])([H:121])[C@:66]2([O:67][H:122])[H:123])[C:31]([H:101])=[C:30]1[H:100]