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EVODEX.1-P812

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C@:2]12[C:3]([H:70])([H:71])[C:4]([H:72])([H:73])[C@@:5]3([H:74])[C@@:6]([H:75])([C:7]([H:76])([H:77])[C:8]([H:78])([H:79])[C:9]4=[C:10]([H:80])[C@:11]([O:12][H:81])([H:82])[C:13]([H:83])([H:84])[C:14]([H:85])([H:86])[C@:15]34[C:16]([H:87])([H:88])[H:89])[C@:17]1([H:90])[C:18]([H:91])([H:92])[C:19]([H:93])([H:94])[C@@:20]2([O:21][H:95])[H:96])([H:97])([H:98])[H:99]>>[H][C@@:9]12[C:8]([H:78])([H:79])[C:7]([H:76])([H:77])[C@:6]3([H:75])[C@:5]([H:74])([C:4]([H:72])([H:73])[C:3]([H:70])([H:71])[C@@:2]4([C:1]([H:97])([H:98])[H:99])[C@@:17]3([H:90])[C:18]([H:91])([H:92])[C:19]([H:93])([H:94])[C@@:20]4([O:21][H:95])[H:96])[C@@:15]1([C:16]([H:87])([H:88])[H:89])[C:14]([H:85])([H:86])[C:13]([H:83])([H:84])[C@@:11]([O:12][H:81])([H:82])[C:10]2([H])[H:80]

Derived Operators

EVODEX.1-F2 - Elemental Balance

H2

EVODEX.1-M3 - Mass Difference

2.01566

EVODEX.1-E18 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:96]-[#6:97](-[#6:98])=[#6:99](-[#6:100])-[H:213]>>[#6:96]-[#6:97](-[#6:98])(-[#6:99](-[#6:100])(-[H:213])-[H])-[H]

EVODEX.1-C1212 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:9](=[#6:10]-[#6@:11])-[#6@:15]-[#6@@:5]-[#6@@:6]-[#6@:17]-[#6@:2]>>[H]-[#6@@:9](-[#6@@:15]-[#6@:5]-[#6@:6]-[#6@@:17]-[#6@@:2])-[#6:10](-[#6@@:11])-[H]

EVODEX.1-N1501 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:1]-[#6@@:2]1(-[#6:3]-[#6:4]-[#6@@:5]2(-[H:74])-[#6@@:6](-[H:75])(-[#6:7]-[#6:8]-[#6:9]3=[#6:10](-[H:80])-[#6@:11](-[#8:12])(-[H:82])-[#6:13]-[#6:14]-[#6@:15]-2-3-[#6:16])-[#6@:17]-1(-[H:90])-[#6:18])-[#6@@:20]>>[H]-[#6@@:9]12-[#6:8]-[#6:7]-[#6@:6]3(-[H:75])-[#6@:5](-[H:74])(-[#6:4]-[#6:3]-[#6@@:2](-[#6:1])(-[#6@@:17]-3(-[H:90])-[#6:18])-[#6@@:20])-[#6@@:15]-1(-[#6:16])-[#6:14]-[#6:13]-[#6@@:11](-[#8:12])(-[H:82])-[#6:10]-2(-[H])-[H:80]

EVODEX.1-Em188 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:1]-[#6:2](-[#6:3])=[#6:4]-[#6:5]>>[H]-[#6:2](-[#6:1])(-[#6:3])-[#6:4](-[H])-[#6:5]

EVODEX.1-Cm62 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:5]=[#6:6]>>[H]-[#6:5]-[#6:6]-[H]

EVODEX.1-Nm70 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:4]-[#6:5]=[#6:6](-[#6:7])-[#6:10]>>[H]-[#6:5](-[#6:4])-[#6:6](-[H])(-[#6:7])-[#6:10]

Source Full Reactions

EVODEX.1-R774

Full Reaction Rendering

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