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EVODEX.1-P486

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][N:10]([C:8]([C:7]1:[N:6]:[C:5]([H:80]):[C:4]([H:79]):[C:3]2:[C:2]([C:1]([H:100])([H:101])[H:102]):[C:28]3:[C:18](:[C:17]([H:92]):[C:16]:2:1):[C:19]1:[C:20]([H:93]):[C:21]([O:22][H:94]):[C:23]([H:95]):[C:24]([H:96]):[C:25]:1:[N:26]:3[C:27]([H:97])([H:98])[H:99])=[O:9])[C:11]([C:12]([N:13]([C:14]([H:81])([H:82])[H:83])[C:15]([H:84])([H:85])[H:86])([H:87])[H:88])([H:89])[H:90]>>[H]O[N:10]([C:8]([C:7]1:[N:6]:[C:5]([H:80]):[C:4]([H:79]):[C:3]2:[C:2]([C:1]([H:100])([H:101])[H:102]):[C:28]3:[C:18](:[C:17]([H:92]):[C:16]:2:1):[C:19]1:[C:20]([H:93]):[C:21]([O:22][H:94]):[C:23]([H:95]):[C:24]([H:96]):[C:25]:1:[N:26]:3[C:27]([H:97])([H:98])[H:99])=[O:9])[C:11]([C:12]([N:13]([C:14]([H:81])([H:82])[H:83])[C:15]([H:84])([H:85])[H:86])([H:87])[H:88])([H:89])[H:90]

Derived Operators

EVODEX.1-F10 - Elemental Balance

O1

EVODEX.1-M6 - Mass Difference

15.9949

EVODEX.1-E411 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:50]-[#7:51](-[H])-[#6:52]>>[#6:50]-[#7:51](-[#8]-[H])-[#6:52]

EVODEX.1-C213 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#7:8]>>[H]-[#8]-[#7:8]

EVODEX.1-N189 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7:8](-[#6:6])-[#6@@:9]>>[H]-[#8]-[#7:8](-[#6:6])-[#6@@:9]

EVODEX.1-Em271 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#7:8](-[#6:6])-[#6:9]>>[H]-[#8]-[#7:8](-[#6:6])-[#6:9]

EVODEX.1-Cm191 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#7:8]>>[#8]-[#7:8]

EVODEX.1-Nm269 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#7:8](-[#6:6])-[#6:9]>>[H]-[#8]-[#7:8](-[#6:6])-[#6:9]

Source Full Reactions

EVODEX.1-R467

Full Reaction Rendering

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