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EVODEX.1-P683

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:47](=[O:46])[C:48]([C:49]([C:50]([C:51]([O:52][H:81])([H:82])[H:83])([H:84])[H:85])([H:86])[H:87])([H:88])[H:89]>>[H]O[C:47](=[O:46])[C:48]([C:49]([C:50]([C:51]([O:52][H:81])([H:82])[H:83])([H:84])[H:85])([H:86])[H:87])([H:88])[H:89]

Derived Operators

EVODEX.1-F10 - Elemental Balance

O1

EVODEX.1-M6 - Mass Difference

15.9949

EVODEX.1-E406 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:2]=[#6:3](-[#6:4])-[H]>>[#8](-[#6:3](=[#8:2])-[#6:4])-[H]

EVODEX.1-C4 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:5]>>[H]-[#8]-[#6:5]

EVODEX.1-N32 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:5](-[#6:4])=[#8:6]>>[H]-[#8]-[#6:5](-[#6:4])=[#8:6]

EVODEX.1-Em302 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:47](=[#8:46])-[#6:48]>>[H]-[#8]-[#6:47](=[#8:46])-[#6:48]

EVODEX.1-Cm32 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:5]>>[#8]-[#6:5]

EVODEX.1-Nm104 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:5](-[#6:4])=[#8:6]>>[H]-[#8]-[#6:5](-[#6:4])=[#8:6]

Source Full Reactions

EVODEX.1-R639

Full Reaction Rendering

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