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EVODEX.1-P7532

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][N:6]([C@:7]1([H:72])[C:8]([H:73])([H:74])[C@@:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:75])[O:15][H:76])([H:77])[H:78])([H:79])[C@:16]([O:17][H:80])([H:81])[C@:18]1([O:19][H:82])[H:83])[H:84]>>[H]N([H])C([H])([H])C(=O)[N:6]([C@:7]1([H:72])[C:8]([H:73])([H:74])[C@@:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:75])[O:15][H:76])([H:77])[H:78])([H:79])[C@:16]([O:17][H:80])([H:81])[C@:18]1([O:19][H:82])[H:83])[H:84]

Derived Operators

EVODEX.1-F224 - Elemental Balance

O1
C2
N1
H3

EVODEX.1-M134 - Mass Difference

57.02149000000001

EVODEX.1-E940 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:6](-[#6@:7])(-[H:84])-[H]>>[#7](-[#6](-[#6](=[#8])-[#7:6](-[#6@:7])-[H:84])(-[H])-[H])(-[H])-[H]

EVODEX.1-C369 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#7:6]>>[H]-[#7](-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:6]

EVODEX.1-N428 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7:6](-[#6@:7])-[H:84]>>[H]-[#7](-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:6](-[#6@:7])-[H:84]

EVODEX.1-Em4 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#7:6]-[#6:7]>>[#6]-[#6](=[#8])-[#7:6]-[#6:7]

EVODEX.1-Cm5 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#7:6]>>[#6]-[#7:6]

EVODEX.1-Nm4 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#7:6]-[#6:7]>>[#6]-[#6](=[#8])-[#7:6]-[#6:7]

Source Full Reactions

EVODEX.1-R7924

Full Reaction Rendering

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