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EVODEX.1-P5

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2]([C:3]([H:59])([H:60])[H:61])([C:4]([C:5]1:[C:6]([H:62]):[C:7]([H:63]):[C:8]([C:9]([C:10]([H:64])([H:65])[H:66])([C:11](=[O:12])[H:67])[H:68]):[C:13]([H:69]):[C:14]:1[H:70])([H:71])[H:72])[H:73])([H:74])([H:75])[H:76]>>[H][C:11]([C@:9]([C:8]1:[C:7]([H:63]):[C:6]([H:62]):[C:5]([C:4]([C:2]([C:1]([H:74])([H:75])[H:76])([C:3]([H:59])([H:60])[H:61])[H:73])([H:71])[H:72]):[C:14]([H:70]):[C:13]:1[H:69])([C:10]([H:64])([H:65])[H:66])[H:68])([O:12][H])[H:67]

Derived Operators

EVODEX.1-F2 - Elemental Balance

H2

EVODEX.1-M3 - Mass Difference

2.01566

EVODEX.1-E23 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:49]=[#6:50](-[#6:51](-[#6:52])(-[#6:55])-[H:117])-[H:118]>>[#8:49](-[#6:50](-[#6@:51](-[#6:52])(-[#6:55])-[H:117])(-[H:118])-[H])-[H]

EVODEX.1-C183 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N104 - Reaction Operator N

Reaction Operator N SMIRKS

[#8:49]=[#6:50](-[#6:51](-[#6:52])(-[#6:55])-[H:117])-[H:118]>>[H]-[#8:49]-[#6:50](-[H])(-[#6@:51](-[#6:52])(-[#6:55])-[H:117])-[H:118]

EVODEX.1-Em78 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:13]-[#6:14]=[#8:15]>>[H]-[#6:14](-[#6:13])-[#8:15]-[H]

EVODEX.1-Cm28 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm52 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:13]-[#6:14]=[#8:15]>>[H]-[#6:14](-[#6:13])-[#8:15]-[H]

Source Full Reactions

EVODEX.1-R5

Full Reaction Rendering

[C:1]([C:2]([C:3]([H:59])([H:60])[H:61])([C:4]([C:5]1:[C:6]([H:62]):[C:7]([H:63]):[C:8]([C:9]([C:10]([H:64])([H:65])[H:66])([C:11](=[O:12])[H:67])[H:68]):[C:13]([H:69]):[C:14]:1[H:70])([H:71])[H:72])[H:73])([H:74])([H:75])[H:76].[HH].[H][C:58]1([H:102])[C:18]([C:16]([N:15]([H:104])[H:105])=[O:17])=[C:19]([H:77])[N:20]([C@:21]2([H:78])[O:22][C@@:23]([C:24]([O:25][P:26](=[O:27])([O:28][H:79])[O:29][P:30](=[O:31])([O:32][H:80])[O:33][C:34]([C@@:35]3([H:81])[O:36][C@:37]([N:38]4:[C:39]([H:82]):[N:40]:[C:41]5:[C:42]([N:43]([H:83])[H:84]):[N:44]:[C:45]([H:85]):[N:46]:[C:47]:4:5)([H:86])[C@@:48]([O:49][H:87])([H:88])[C@@:50]3([O:51][H:89])[H:90])([H:91])[H:92])([H:93])[H:94])([H:95])[C@:52]([O:53][H:96])([H:97])[C@:54]2([O:55][H:98])[H:99])[C:56]([H:100])=[C:57]1[H:101]>>[H][C:11]([C@:9]([C:8]1:[C:7]([H:63]):[C:6]([H:62]):[C:5]([C:4]([C:2]([C:1]([H:74])([H:75])[H:76])([C:3]([H:59])([H:60])[H:61])[H:73])([H:71])[H:72]):[C:14]([H:70]):[C:13]:1[H:69])([C:10]([H:64])([H:65])[H:66])[H:68])([O:12][H])[H:67].[N:15]([C:16](=[O:17])[C:18]1:[C:19]([H:77]):[N+:20]([C@:21]2([H:78])[O:22][C@@:23]([C:24]([O:25][P:26](=[O:27])([O:28][H:79])[O:29][P:30](=[O:31])([O:32][H:80])[O:33][C:34]([C@@:35]3([H:81])[O:36][C@:37]([N:38]4:[C:39]([H:82]):[N:40]:[C:41]5:[C:42]([N:43]([H:83])[H:84]):[N:44]:[C:45]([H:85]):[N:46]:[C:47]:4:5)([H:86])[C@@:48]([O:49][H:87])([H:88])[C@@:50]3([O:51][H:89])[H:90])([H:91])[H:92])([H:93])[H:94])([H:95])[C@:52]([O:53][H:96])([H:97])[C@:54]2([O:55][H:98])[H:99]):[C:56]([H:100]):[C:57]([H:101]):[C:58]:1[H:102])([H:104])[H:105]