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EVODEX.1-P1192

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2]1=[C:3]([H:58])[C:4](=[O:5])[C:6]([H:59])=[C:7]([H:60])[C:8]1=[O:9])([H:61])([H:62])[H:63]>>[H][C:8]1([O:9][H])[C:2]([C:1]([H:61])([H:62])[H:63])=[C:3]([H:58])[C:4](=[O:5])[C:6]([H:59])=[C:7]1[H:60]

Derived Operators

EVODEX.1-F2 - Elemental Balance

H2

EVODEX.1-M3 - Mass Difference

2.01566

EVODEX.1-C9 - Reaction Operator C

Reaction Operator C SMIRKS

[#8:49]=[#6:50]>>[H]-[#8:49]-[#6:50]-[H]

EVODEX.1-N2 - Reaction Operator N

Reaction Operator N SMIRKS

[#8:49]=[#6:50](-[#6:51])-[#6:60]>>[H]-[#8:49]-[#6:50](-[H])(-[#6:51])-[#6:60]

EVODEX.1-Em193 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:4]1=[#6:5]-[#6:6](=[#8:7])-[#6:8]=[#6:11]-[#6:12]-1=[#8:13]>>[H]-[#6:6]1(-[#8:7]-[H])-[#6:5]=[#6:4]-[#6:12](=[#8:13])-[#6:11]=[#6:8]-1

EVODEX.1-Cm28 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#8:49]=[#6:50]>>[H]-[#8:49]-[#6:50]-[H]

EVODEX.1-Nm36 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#8:49]=[#6:50](-[#6:51])-[#6:60]>>[H]-[#8:49]-[#6:50](-[H])(-[#6:51])-[#6:60]

Source Full Reactions

EVODEX.1-R1110

Full Reaction Rendering

[C:1]([C:2]1=[C:3]([H:58])[C:4](=[O:5])[C:6]([H:59])=[C:7]([H:60])[C:8]1=[O:9])([H:61])([H:62])[H:63].[HH].[H][C:57]1([H:90])[C:13]([C:11]([N:10]([H:92])[H:93])=[O:12])=[C:14]([H:64])[N:15]([C@:16]2([H:65])[O:17][C@@:18]([C:19]([O:20][P:21](=[O:22])([O:23][H:66])[O:24][P:25](=[O:26])([O:27][H:67])[O:28][C:29]([C@@:30]3([H:68])[O:31][C@:32]([N:33]4:[C:34]([H:69]):[N:35]:[C:36]5:[C:37]([N:38]([H:70])[H:71]):[N:39]:[C:40]([H:72]):[N:41]:[C:42]:4:5)([H:73])[C@@:43]([O:44][P:45](=[O:46])([O:47][H:74])[O:48][H:75])([H:76])[C@@:49]3([O:50][H:77])[H:78])([H:79])[H:80])([H:81])[H:82])([H:83])[C@:51]([O:52][H:84])([H:85])[C@:53]2([O:54][H:86])[H:87])[C:55]([H:88])=[C:56]1[H:89]>>[H][C:8]1([O:9][H])[C:2]([C:1]([H:61])([H:62])[H:63])=[C:3]([H:58])[C:4](=[O:5])[C:6]([H:59])=[C:7]1[H:60].[N:10]([C:11](=[O:12])[C:13]1:[C:14]([H:64]):[N+:15]([C@:16]2([H:65])[O:17][C@@:18]([C:19]([O:20][P:21](=[O:22])([O:23][H:66])[O:24][P:25](=[O:26])([O:27][H:67])[O:28][C:29]([C@@:30]3([H:68])[O:31][C@:32]([N:33]4:[C:34]([H:69]):[N:35]:[C:36]5:[C:37]([N:38]([H:70])[H:71]):[N:39]:[C:40]([H:72]):[N:41]:[C:42]:4:5)([H:73])[C@@:43]([O:44][P:45](=[O:46])([O:47][H:74])[O:48][H:75])([H:76])[C@@:49]3([O:50][H:77])[H:78])([H:79])[H:80])([H:81])[H:82])([H:83])[C@:51]([O:52][H:84])([H:85])[C@:53]2([O:54][H:86])[H:87]):[C:55]([H:88]):[C:56]([H:89]):[C:57]:1[H:90])([H:92])[H:93]