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EVODEX.1-P67

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[O:45]=[C:46]([C:47]1:[C:48]([H:82]):[C:49]([H:83]):[C:50]([H:84]):[C:51]([H:85]):[N:52]:1)[H:86]>>[H][O:45][C:46]([H])([C:47]1:[C:48]([H:82]):[C:49]([H:83]):[C:50]([H:84]):[C:51]([H:85]):[N:52]:1)[H:86]

Derived Operators

EVODEX.1-F2 - Elemental Balance

H2

EVODEX.1-M3 - Mass Difference

2.01566

EVODEX.1-E3 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:45]=[#6:46](-[#6:47])-[H:93]>>[#8:45](-[#6:46](-[#6:47])(-[H:93])-[H])-[H]

EVODEX.1-C9 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N89 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:8]-[#6:9](=[#8:10])-[H:55]>>[H]-[#6:9](-[#6:8])(-[#8:10]-[H])-[H:55]

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-R89

Full Reaction Rendering

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

EVODEX.1-R88

Full Reaction Rendering

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