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EVODEX.1-P87

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2](=[O:3])[C:4]([C:5](=[O:6])[C:7]1:[C:8]([H:57]):[C:9]([H:58]):[C:10]([H:59]):[C:11]([H:60]):[C:12]:1[H:61])([H:62])[H:63])([H:64])([H:65])[H:66]>>[H][C@:5]([C:4]([C:2]([C:1]([H:64])([H:65])[H:66])=[O:3])([H:62])[H:63])([O:6][H])[C:7]1:[C:8]([H:57]):[C:9]([H:58]):[C:10]([H:59]):[C:11]([H:60]):[C:12]:1[H:61]

Derived Operators

EVODEX.1-F2 - Elemental Balance

H2

EVODEX.1-M3 - Mass Difference

2.01566

EVODEX.1-E5 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:3]-[#6:4](=[#8:5])-[#6:6]>>[#6:3]-[#6:4](-[#8:5]-[H])(-[#6:6])-[H]

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-Em154 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:4]-[#6:5](=[#8:6])-[#6:7]>>[H]-[#6:5](-[#6:4])(-[#8:6]-[H])-[#6:7]

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-R116

Full Reaction Rendering

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