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EVODEX.1-P3662

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:12][C:11]1([H:58])[O:10][C@@:7]([C:8]([O:9][H:53])([H:54])[H:55])([H:56])[C@:5]([O:6][H:51])([H:52])[C@@:4]([O:3][C@:2]([C:1]([H:63])([H:64])[H:65])([C:18](=[O:19])[O:20][H:61])[H:62])([H:50])[C@:13]1([N:14]([N:15]=[N+:16]=[N-:17])[H:59])[H:60]>>[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):C([H]):C(N([H])[H]):N:C:2=O)O[C@]1([H])C([H])([H])OP(=O)(O[H])[O:12][C:11]1([H:58])[O:10][C@@:7]([C:8]([O:9][H:53])([H:54])[H:55])([H:56])[C@:5]([O:6][H:51])([H:52])[C@@:4]([O:3][C@:2]([C:1]([H:63])([H:64])[H:65])([C:18](=[O:19])[O:20][H:61])[H:62])([H:50])[C@:13]1([N:14]([N:15]=[N+:16]=[N-:17])[H:59])[H:60]

Derived Operators

EVODEX.1-F459 - Elemental Balance

P1
O7
C9
N3
H12

EVODEX.1-M163 - Mass Difference

305.04136

EVODEX.1-E1270 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:32]-[#8:33]-[H]>>[#6:32]-[#8:33]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6](-[#6@@]1(-[H])-[#8]-[#6@](-[#7]2:[#6](-[H]):[#6](-[H]):[#6](-[#7](-[H])-[H]):[#7]:[#6]:2=[#8])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[H])-[H])(-[H])-[H]

EVODEX.1-C129 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8:13]>>[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#6](-[H]):[#6](-[#7](-[H])-[H]):[#7]:[#6]:2=[#8])-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:13]

EVODEX.1-N587 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:13]-[#6:12]>>[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#6](-[H]):[#6](-[#7](-[H])-[H]):[#7]:[#6]:2=[#8])-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:13]-[#6:12]

EVODEX.1-Em26 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#8:34]-[#6:33]>>[#8]-[#15](=[#8])(-[#8])-[#8:34]-[#6:33]

EVODEX.1-Cm15 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#8:27]>>[#15]-[#8:27]

EVODEX.1-Nm26 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#8:34]-[#6:33]>>[#8]-[#15](=[#8])(-[#8])-[#8:34]-[#6:33]

Source Full Reactions

EVODEX.1-R4442

Full Reaction Rendering

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