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EVODEX.1-P7460

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][N:1]([C:2]([C:3](=[O:4])[O:5][H:66])([H:67])[H:68])[H:69]>>[H]OC1:C([H]):C([H]):C(C([H])([H])[C@@]([H])(C(=O)[N:1]([C:2]([C:3](=[O:4])[O:5][H:66])([H:67])[H:68])[H:69])N([H])[H]):C([H]):C:1[H]

Derived Operators

EVODEX.1-F87 - Elemental Balance

O2
C9
N1
H9

EVODEX.1-M226 - Mass Difference

163.06337

EVODEX.1-E656 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:1](-[#6:2])(-[H:69])-[H]>>[#7:1](-[#6:2])(-[#6](-[#6@@](-[#7](-[H])-[H])(-[#6](-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#8]-[H]):[#6](-[H]):[#6]:1-[H])(-[H])-[H])-[H])=[#8])-[H:69]

EVODEX.1-C853 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#7:1]>>[H]-[#8]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:1])-[#7](-[H])-[H]):[#6](-[H]):[#6]:1-[H]

EVODEX.1-N1064 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7:1](-[#6:2])-[H:69]>>[H]-[#8]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:1](-[#6:2])-[H:69])-[#7](-[H])-[H]):[#6](-[H]):[#6]:1-[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-R7867

Full Reaction Rendering

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