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EVODEX.1-P37

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C@:2]12[C:3]([H:69])([H:70])[C:4]([H:71])([H:72])[C@:5]([O:6][H:73])([H:74])[C:7]([H:75])([H:76])[C@@:8]1([H:77])[C:9]([H:78])([H:79])[C:10]([H:80])([H:81])[C@:11]1([H:82])[C@:12]2([H:83])[C:13]([H:84])([H:85])[C:14]([H:86])([H:87])[C@:15]2([C:16]([H:88])([H:89])[H:90])[C@:17]([C:18](=[O:19])[C:20](=[O:21])[H:91])([H:92])[C:22]([H:93])([H:94])[C:23]([H:95])([H:96])[C@@:24]12[H:97])([H:98])([H:99])[H:100]>>[H][C:20]([C:18]([C@:17]1([H:92])[C@@:15]2([C:16]([H:88])([H:89])[H:90])[C:14]([H:86])([H:87])[C:13]([H:84])([H:85])[C@:12]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]([O:6][H:73])([H:74])[C:7]([H:75])([H:76])[C@@:8]4([H:77])[C:9]([H:78])([H:79])[C:10]([H:80])([H:81])[C@@:11]3([H:82])[C@:24]2([H:97])[C:23]([H:95])([H:96])[C:22]1([H:93])[H:94])=[O:19])([O:21][H])[H:91]

Derived Operators

EVODEX.1-F2 - Elemental Balance

H2

EVODEX.1-M3 - Mass Difference

2.01566

EVODEX.1-C1167 - Reaction Operator C

Reaction Operator C SMIRKS

([#6:20]=[#8:21].[#6@:2].[#6@:11]-[#6@@:24]-[#6@:15])>>([H]-[#6:20]-[#8:21]-[H].[#6@@:15]-[#6@:24]-[#6@@:11].[#6@@:2])

EVODEX.1-N1444 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:1]-[#6@:2](-[#6:3])(-[#6@@:8])-[#6@:12]-[#6@:11](-[#6:10])(-[H:82])-[#6@@:24](-[#6@@:15](-[#6:14])(-[#6:16])-[#6@:17]-[#6:18]-[#6:20](=[#8:21])-[H:91])(-[#6:23])-[H:97]>>[H]-[#6:20](-[#6:18]-[#6@:17]-[#6@@:15](-[#6:16])(-[#6:14])-[#6@@:24](-[#6@@:11](-[#6@:12]-[#6@@:2](-[#6:1])(-[#6:3])-[#6@@:8])(-[#6:10])-[H:82])(-[H:97])-[#6:23])(-[#8:21]-[H])-[H:91]

EVODEX.1-Em163 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8:49]=[#6:50]-[#6:51]=[#8:52]>>[H]-[#8:49]-[#6:50](-[H])-[#6:51]=[#8:52]

EVODEX.1-Cm28 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#8:49]=[#6:50]>>[H]-[#8:49]-[#6:50]-[H]

EVODEX.1-Nm52 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:13]-[#6:14]=[#8:15]>>[H]-[#6:14](-[#6:13])-[#8:15]-[H]

Source Full Reactions

EVODEX.1-R45

Full Reaction Rendering

[C:1]([C@:2]12[C:3]([H:69])([H:70])[C:4]([H:71])([H:72])[C@:5]([O:6][H:73])([H:74])[C:7]([H:75])([H:76])[C@@:8]1([H:77])[C:9]([H:78])([H:79])[C:10]([H:80])([H:81])[C@:11]1([H:82])[C@:12]2([H:83])[C:13]([H:84])([H:85])[C:14]([H:86])([H:87])[C@:15]2([C:16]([H:88])([H:89])[H:90])[C@:17]([C:18](=[O:19])[C:20](=[O:21])[H:91])([H:92])[C:22]([H:93])([H:94])[C:23]([H:95])([H:96])[C@@:24]12[H:97])([H:98])([H:99])[H:100].[HH].[H][C:68]1([H:126])[C:28]([C:26]([N:25]([H:128])[H:129])=[O:27])=[C:29]([H:101])[N:30]([C@:31]2([H:102])[O:32][C@@:33]([C:34]([O:35][P:36](=[O:37])([O:38][H:103])[O:39][P:40](=[O:41])([O:42][H:104])[O:43][C:44]([C@@:45]3([H:105])[O:46][C@:47]([N:48]4:[C:49]([H:106]):[N:50]:[C:51]5:[C:52]([N:53]([H:107])[H:108]):[N:54]:[C:55]([H:109]):[N:56]:[C:57]:4:5)([H:110])[C@@:58]([O:59][H:111])([H:112])[C@@:60]3([O:61][H:113])[H:114])([H:115])[H:116])([H:117])[H:118])([H:119])[C@:62]([O:63][H:120])([H:121])[C@:64]2([O:65][H:122])[H:123])[C:66]([H:124])=[C:67]1[H:125]>>[H][C:20]([C:18]([C@:17]1([H:92])[C@@:15]2([C:16]([H:88])([H:89])[H:90])[C:14]([H:86])([H:87])[C:13]([H:84])([H:85])[C@:12]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]([O:6][H:73])([H:74])[C:7]([H:75])([H:76])[C@@:8]4([H:77])[C:9]([H:78])([H:79])[C:10]([H:80])([H:81])[C@@:11]3([H:82])[C@:24]2([H:97])[C:23]([H:95])([H:96])[C:22]1([H:93])[H:94])=[O:19])([O:21][H])[H:91].[N:25]([C:26](=[O:27])[C:28]1:[C:29]([H:101]):[N+:30]([C@:31]2([H:102])[O:32][C@@:33]([C:34]([O:35][P:36](=[O:37])([O:38][H:103])[O:39][P:40](=[O:41])([O:42][H:104])[O:43][C:44]([C@@:45]3([H:105])[O:46][C@:47]([N:48]4:[C:49]([H:106]):[N:50]:[C:51]5:[C:52]([N:53]([H:107])[H:108]):[N:54]:[C:55]([H:109]):[N:56]:[C:57]:4:5)([H:110])[C@@:58]([O:59][H:111])([H:112])[C@@:60]3([O:61][H:113])[H:114])([H:115])[H:116])([H:117])[H:118])([H:119])[C@:62]([O:63][H:120])([H:121])[C@:64]2([O:65][H:122])[H:123]):[C:66]([H:124]):[C:67]([H:125]):[C:68]:1[H:126])([H:128])[H:129]