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EVODEX.1-P522

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F12 - Elemental Balance

O-1

EVODEX.1-M9 - Mass Difference

-15.9949

EVODEX.1-E433 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:1](-[#6:2])(-[H:62])(-[H:63])-[H].[#8:55]=[#8]>>[#6:1](-[#6:2])(-[#8:55]-[H])(-[H:62])-[H:63]

EVODEX.1-C21 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6@@:2].[#8]=[#8:83]>>[H]-[#8:83]-[#6@:2]

EVODEX.1-N122 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:1](-[#6:2])(-[H:99])-[H:100].[#8]=[#8:72]>>[H]-[#8:72]-[#6:1](-[#6:2])(-[H:99])-[H:100]

EVODEX.1-Em203 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:1]-[#6:2].[#8]=[#8:72]>>[H]-[#8:72]-[#6:1]-[#6:2]

EVODEX.1-Cm40 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:2].[#8]=[#8:83]>>[H]-[#8:83]-[#6:2]

EVODEX.1-Nm203 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:1]-[#6:2].[#8]=[#8:72]>>[H]-[#8:72]-[#6:1]-[#6:2]

Source Full Reactions

EVODEX.1-R500

Full Reaction Rendering

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