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EVODEX.1-P810

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2]([C:3]([H:78])([H:79])[H:80])([C:4]([C:5]([C:6]([C@@:7]([C:8]([H:81])([H:82])[H:83])([C@@:9]1([H:84])[C:10]([H:85])([H:86])[C:11]([H:87])([H:88])[C@@:12]2([H:89])[C@:13]3([H:90])[C@@:14]([O:15][H:91])([H:92])[C:16]([H:93])=[C:17]4[C:18]([H:94])([H:95])[C@:19]([O:20][H:96])([H:97])[C:21]([H:98])([H:99])[C:22]([H:100])([H:101])[C@:23]4([C:24]([H:102])([H:103])[H:104])[C@@:25]3([H:105])[C:26]([H:106])([H:107])[C:27]([H:108])([H:109])[C@:28]12[C:29]([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][C:16]1([H:93])[C@:14]([O:15][H:91])([H:92])[C@@:13]2([H:90])[C@:12]3([H:89])[C:11]([H:87])([H:88])[C:10]([H:85])([H:86])[C@@:9]([C@@:7]([C:6]([C:5]([C:4]([C:2]([C:1]([H:121])([H:122])[H:123])([C:3]([H:78])([H:79])[H:80])[H:120])([H:118])[H:119])([H:116])[H:117])([H:114])[H:115])([C:8]([H:81])([H:82])[H:83])[H:113])([H:84])[C@@:28]3([C:29]([H:110])([H:111])[H:112])[C:27]([H:108])([H:109])[C:26]([H:106])([H:107])[C@:25]2([H:105])[C@:23]2([C:24]([H:102])([H:103])[H:104])[C:17]1([H])[C:18]([H:94])([H:95])[C@:19]([O:20][H:96])([H:97])[C:21]([H:98])([H:99])[C:22]2([H:100])[H:101]

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-C1210 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:16](-[#6@@:14]-[#6@@:13](-[#6@@:12]-[#6@:28])-[#6@@:25])=[#6:17]>>[H]-[#6:16](-[#6@:14]-[#6@@:13](-[#6@:12]-[#6@@:28])-[#6@:25])-[#6:17]-[H]

EVODEX.1-N1499 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:11]-[#6@@:12]1(-[H:89])-[#6@:13]2(-[H:90])-[#6@@:14](-[#8:15])(-[H:92])-[#6:16](-[H:93])=[#6:17](-[#6:18])-[#6@:23]-[#6@@:25]-2(-[H:105])-[#6:26]-[#6:27]-[#6@@:28]-1(-[#6@@:9])-[#6:29]>>[H]-[#6:16]1(-[H:93])-[#6@:14](-[#8:15])(-[H:92])-[#6@@:13]2(-[H:90])-[#6@:12](-[H:89])(-[#6:11])-[#6@:28](-[#6@@:9])(-[#6:29])-[#6:27]-[#6:26]-[#6@:25]-2(-[H:105])-[#6@:23]-[#6:17]-1(-[H])-[#6:18]

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-R772

Full Reaction Rendering

[C:1]([C:2]([C:3]([H:78])([H:79])[H:80])([C:4]([C:5]([C:6]([C@@:7]([C:8]([H:81])([H:82])[H:83])([C@@:9]1([H:84])[C:10]([H:85])([H:86])[C:11]([H:87])([H:88])[C@@:12]2([H:89])[C@:13]3([H:90])[C@@:14]([O:15][H:91])([H:92])[C:16]([H:93])=[C:17]4[C:18]([H:94])([H:95])[C@:19]([O:20][H:96])([H:97])[C:21]([H:98])([H:99])[C:22]([H:100])([H:101])[C@:23]4([C:24]([H:102])([H:103])[H:104])[C@@:25]3([H:105])[C:26]([H:106])([H:107])[C:27]([H:108])([H:109])[C@:28]12[C:29]([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].[HH].[H][C:77]1([H:150])[C:33]([C:31]([N:30]([H:152])[H:153])=[O:32])=[C:34]([H:124])[N:35]([C@:36]2([H:125])[O:37][C@@:38]([C:39]([O:40][P:41](=[O:42])([O:43][H:126])[O:44][P:45](=[O:46])([O:47][H:127])[O:48][C:49]([C@@:50]3([H:128])[O:51][C@:52]([N:53]4:[C:54]([H:129]):[N:55]:[C:56]5:[C:57]([N:58]([H:130])[H:131]):[N:59]:[C:60]([H:132]):[N:61]:[C:62]:4:5)([H:133])[C@@:63]([O:64][P:65](=[O:66])([O:67][H:134])[O:68][H:135])([H:136])[C@@:69]3([O:70][H:137])[H:138])([H:139])[H:140])([H:141])[H:142])([H:143])[C@:71]([O:72][H:144])([H:145])[C@:73]2([O:74][H:146])[H:147])[C:75]([H:148])=[C:76]1[H:149]>>[H][C:16]1([H:93])[C@:14]([O:15][H:91])([H:92])[C@@:13]2([H:90])[C@:12]3([H:89])[C:11]([H:87])([H:88])[C:10]([H:85])([H:86])[C@@:9]([C@@:7]([C:6]([C:5]([C:4]([C:2]([C:1]([H:121])([H:122])[H:123])([C:3]([H:78])([H:79])[H:80])[H:120])([H:118])[H:119])([H:116])[H:117])([H:114])[H:115])([C:8]([H:81])([H:82])[H:83])[H:113])([H:84])[C@@:28]3([C:29]([H:110])([H:111])[H:112])[C:27]([H:108])([H:109])[C:26]([H:106])([H:107])[C@:25]2([H:105])[C@:23]2([C:24]([H:102])([H:103])[H:104])[C:17]1([H])[C:18]([H:94])([H:95])[C@:19]([O:20][H:96])([H:97])[C:21]([H:98])([H:99])[C:22]2([H:100])[H:101].[N:30]([C:31](=[O:32])[C:33]1:[C:34]([H:124]):[N+:35]([C@:36]2([H:125])[O:37][C@@:38]([C:39]([O:40][P:41](=[O:42])([O:43][H:126])[O:44][P:45](=[O:46])([O:47][H:127])[O:48][C:49]([C@@:50]3([H:128])[O:51][C@:52]([N:53]4:[C:54]([H:129]):[N:55]:[C:56]5:[C:57]([N:58]([H:130])[H:131]):[N:59]:[C:60]([H:132]):[N:61]:[C:62]:4:5)([H:133])[C@@:63]([O:64][P:65](=[O:66])([O:67][H:134])[O:68][H:135])([H:136])[C@@:69]3([O:70][H:137])[H:138])([H:139])[H:140])([H:141])[H:142])([H:143])[C@:71]([O:72][H:144])([H:145])[C@:73]2([O:74][H:146])[H:147]):[C:75]([H:148]):[C:76]([H:149]):[C:77]:1[H:150])([H:152])[H:153]