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EVODEX.1-P805

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:6]([C:5]([C:4](=[C:2]([C:1]([H:65])([H:66])[H:67])[C:3]([H:54])([H:55])[H:56])[H:64])([H:62])[H:63])([O:7][H:57])[C:8]([H])([O:9][H:58])[H:59]>>[C:1]([C:2]([C:3]([H:54])([H:55])[H:56])=[C:4]([C:5]([C:6]([O:7][H:57])=[C:8]([O:9][H:58])[H:59])([H:62])[H:63])[H:64])([H:65])([H:66])[H:67]

Derived Operators

EVODEX.1-F4 - Elemental Balance

H-2

EVODEX.1-M5 - Mass Difference

-2.01566

EVODEX.1-E55 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:5]-[#6:6](-[#8:7])(-[#6:8](-[#8:9])(-[H:62])-[H])-[H]>>[#6:5]-[#6:6](-[#8:7])=[#6:8](-[#8:9])-[H:62]

EVODEX.1-C34 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N109 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:6](-[#6:5])(-[#8:7])-[#6:8](-[H])(-[#8:9])-[H:62]>>[#6:5]-[#6:6](-[#8:7])=[#6:8](-[#8:9])-[H:62]

EVODEX.1-Em171 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:6](-[#6:5])(-[#8:7])-[#6:8](-[H])-[#8:9]>>[#6:5]-[#6:6](-[#8:7])=[#6:8]-[#8:9]

EVODEX.1-Cm61 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm185 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:6](-[#6:5])(-[#8:7])-[#6:8](-[H])-[#8:9]>>[#6:5]-[#6:6](-[#8:7])=[#6:8]-[#8:9]

Source Full Reactions

EVODEX.1-R767

Full Reaction Rendering

[H][C:6]([C:5]([C:4](=[C:2]([C:1]([H:65])([H:66])[H:67])[C:3]([H:54])([H:55])[H:56])[H:64])([H:62])[H:63])([O:7][H:57])[C:8]([H])([O:9][H:58])[H:59].[N:10]([C:11](=[O:12])[C:13]1:[C:14]([H:68]):[C:15]([H:69]):[C:16]([H:70]):[N+:17]([C@:18]2([H:71])[O:19][C@@:20]([C:21]([O:22][P:23](=[O:24])([O:25][H:72])[O:26][P:27](=[O:28])([O:29][H:73])[O:30][C:31]([C@@:32]3([H:74])[O:33][C@:34]([N:35]4:[C:36]([H:75]):[N:37]:[C:38]5:[C:39]([N:40]([H:76])[H:77]):[N:41]:[C:42]([H:78]):[N:43]:[C:44]:4:5)([H:79])[C@@:45]([O:46][H:80])([H:81])[C@@:47]3([O:48][H:82])[H:83])([H:84])[H:85])([H:86])[H:87])([H:88])[C@:49]([O:50][H:89])([H:90])[C@:51]2([O:52][H:91])[H:92]):[C:53]:1[H:93])([H:94])[H:95]>>[C:1]([C:2]([C:3]([H:54])([H:55])[H:56])=[C:4]([C:5]([C:6]([O:7][H:57])=[C:8]([O:9][H:58])[H:59])([H:62])[H:63])[H:64])([H:65])([H:66])[H:67].[HH].[H][C:14]1([H:68])[C:13]([C:11]([N:10]([H:94])[H:95])=[O:12])=[C:53]([H:93])[N:17]([C@:18]2([H:71])[O:19][C@@:20]([C:21]([O:22][P:23](=[O:24])([O:25][H:72])[O:26][P:27](=[O:28])([O:29][H:73])[O:30][C:31]([C@@:32]3([H:74])[O:33][C@:34]([N:35]4:[C:36]([H:75]):[N:37]:[C:38]5:[C:39]([N:40]([H:76])[H:77]):[N:41]:[C:42]([H:78]):[N:43]:[C:44]:4:5)([H:79])[C@@:45]([O:46][H:80])([H:81])[C@@:47]3([O:48][H:82])[H:83])([H:84])[H:85])([H:86])[H:87])([H:88])[C@:49]([O:50][H:89])([H:90])[C@:51]2([O:52][H:91])[H:92])[C:16]([H:70])=[C:15]1[H:69]