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EVODEX.1-P48

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

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-Em165 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8:49]=[#6:50](-[#6:51]=[#6:52]-[#6:53]=[#8:54])-[#6:60]>>[H]-[#8:49]-[#6:50](-[H])(-[#6:51]=[#6:52]-[#6:53]=[#8:54])-[#6:60]

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-R59

Full Reaction Rendering

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