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EVODEX.1-P76

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[O:49]=[C:50]([C:51](=[O:52])[C@@:53]([O:54][H:91])([C@:55]([O:56][H:92])([C@:57]([O:58][H:93])([C:59]([O:60][H:94])([H:95])[H:96])[H:97])[H:98])[H:99])[H:100]>>[H][O:49][C:50]([H])([C:51](=[O:52])[C@@:53]([O:54][H:91])([C@:55]([O:56][H:92])([C@:57]([O:58][H:93])([C:59]([O:60][H:94])([H:95])[H:96])[H:97])[H:98])[H:99])[H:100]

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-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-Em163 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

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-R103

Full Reaction Rendering

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