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EVODEX.1-P904

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][N:1]([H:82])[H:83].O=[C:47]1[C:48]([H:85])([H:86])[C:49]([H:87])([H:88])[C:50]([H:89])([H:90])[C:51]([H:91])([H:92])[C:52]1([H:93])[H:94]>>[H][C:47]1([N:1]([H:82])[H:83])[C:48]([H:85])([H:86])[C:49]([H:87])([H:88])[C:50]([H:89])([H:90])[C:51]([H:91])([H:92])[C:52]1([H:93])[H:94]

Derived Operators

EVODEX.1-F12 - Elemental Balance

O-1

EVODEX.1-M9 - Mass Difference

-15.9949

EVODEX.1-E440 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:1](-[H:86])(-[H:87])-[H].[#8]=[#6:47](-[#6:48])-[#6:50]>>[#7:1](-[#6@:47](-[#6:48])(-[#6:50])-[H])(-[H:86])-[H:87]

EVODEX.1-C26 - Reaction Operator C

Reaction Operator C SMIRKS

[#8]=[#6:3].[H]-[#7:10]>>[H]-[#6:3]-[#7:10]

EVODEX.1-N35 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7:1](-[H:82])-[H:83].[#8]=[#6:49](-[#6:47])-[#6:51]>>[H]-[#6@@:49](-[#7:1](-[H:82])-[H:83])(-[#6:47])-[#6:51]

EVODEX.1-Em332 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#7:1].[#8]=[#6:47](-[#6:48])-[#6:52]>>[H]-[#6:47](-[#7:1])(-[#6:48])-[#6:52]

EVODEX.1-Cm65 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#8]=[#6:3].[H]-[#7:10]>>[H]-[#6:3]-[#7:10]

EVODEX.1-Nm107 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#7:1].[#8]=[#6:49](-[#6:47])-[#6:51]>>[H]-[#6:49](-[#7:1])(-[#6:47])-[#6:51]

Source Full Reactions

EVODEX.1-R881

Full Reaction Rendering

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