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EVODEX.1-P7222

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][N:5]([C@@:4]([C@@:2]([C:1]([H:56])([H:57])[H:58])([O:3][H:50])[H:55])([C:6](=[O:7])[O:8][H:53])[H:54])[H:51]>>[H]N([H])C(=O)C([H])([H])C([H])([H])[C@@]([H])(C(=O)[N:5]([C@@:4]([C@@:2]([C:1]([H:56])([H:57])[H:58])([O:3][H:50])[H:55])([C:6](=[O:7])[O:8][H:53])[H:54])[H:51])N([H])[H]

Derived Operators

EVODEX.1-F176 - Elemental Balance

O2
C5
N2
H8

EVODEX.1-M266 - Mass Difference

128.05864

EVODEX.1-E860 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:11](-[#6@@:12])(-[H:67])-[H]>>[#7](-[#6](=[#8])-[#6](-[#6](-[#6@](-[#7](-[H])-[H])(-[#6](=[#8])-[#7:11](-[#6@@:12])-[H:67])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H]

EVODEX.1-C830 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N1041 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7:6](-[#6@@:5])-[H:51]>>[H]-[#7](-[H])-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:6](-[#6@@:5])-[H:51])-[#7](-[H])-[H]

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-R7767

Full Reaction Rendering

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