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EVODEX.1-P1199

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[N:45]([C:46]1:[C:47]([H:85]):[C:48]([H:86]):[C:49]([H:87]):[C:50]([H:88]):[C:51]:1[C:52](=[O:53])[N:54]([O:55][H:89])[H:90])([H:91])[H:92]>>[H][N:54]([C:52]([C:51]1:[C:46]([N:45]([H:91])[H:92]):[C:47]([H:85]):[C:48]([H:86]):[C:49]([H:87]):[C:50]:1[H:88])=[O:53])[H:90].[H][O:55][H:89]

Derived Operators

EVODEX.1-F2 - Elemental Balance

H2

EVODEX.1-M3 - Mass Difference

2.01566

EVODEX.1-E4 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:56]-[#7:57](-[#8:58]-[H:93])-[H:94]>>[#6:56]-[#7:57](-[H:94])-[H].[#8:58](-[H:93])-[H]

EVODEX.1-C249 - Reaction Operator C

Reaction Operator C SMIRKS

[#7:57]-[#8:58]>>[H]-[#7:57].[H]-[#8:58]

EVODEX.1-N264 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:56]-[#7:57](-[#8:58]-[H:93])-[H:94]>>[H]-[#7:57](-[#6:56])-[H:94].[H]-[#8:58]-[H:93]

EVODEX.1-Em385 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:56]-[#7:57]-[#8:58]>>[H]-[#7:57]-[#6:56].[H]-[#8:58]

EVODEX.1-Cm224 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#7:57]-[#8:58]>>[H]-[#7:57].[H]-[#8:58]

EVODEX.1-Nm345 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:56]-[#7:57]-[#8:58]>>[H]-[#7:57]-[#6:56].[H]-[#8:58]

Source Full Reactions

EVODEX.1-R1124

Full Reaction Rendering

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