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EVODEX.1-P3712

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:12][C:11]([C:10]([C:9]([O:8][C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:77])([H:78])[H:79])([H:75])[H:76])([H:73])[H:74])([H:71])[H:72])([H:69])[H:70])=[O:7])([H:67])[H:68])([O:13][C:14](=[O:15])[C:16]([C:17]([C:18]([C:19]([C:20]([H:55])([H:56])[H:57])([H:58])[H:59])([H:60])[H:61])([H:62])[H:63])([H:64])[H:65])[H:66])([H:53])[H:54]>>[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(C([H])([H])OP(=O)(O[H])[O:12][C:11]([C:10]([C:9]([O:8][C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:77])([H:78])[H:79])([H:75])[H:76])([H:73])[H:74])([H:71])[H:72])([H:69])[H:70])=[O:7])([H:67])[H:68])([O:13][C:14](=[O:15])[C:16]([C:17]([C:18]([C:19]([C:20]([H:55])([H:56])[H:57])([H:58])[H:59])([H:60])[H:61])([H:62])[H:63])([H:64])[H:65])[H:66])([H:53])[H:54])O[C@]1([H])N1:C([H]):C([H]):C(N([H])[H]):N:C:1=O

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-R4532

Full Reaction Rendering

[H][O:12][C:11]([C:10]([C:9]([O:8][C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:77])([H:78])[H:79])([H:75])[H:76])([H:73])[H:74])([H:71])[H:72])([H:69])[H:70])=[O:7])([H:67])[H:68])([O:13][C:14](=[O:15])[C:16]([C:17]([C:18]([C:19]([C:20]([H:55])([H:56])[H:57])([H:58])[H:59])([H:60])[H:61])([H:62])[H:63])([H:64])[H:65])[H:66])([H:53])[H:54].[C:21]([N+:22]([C:23]([H:80])([H:81])[H:82])([C:24]([H:83])([H:84])[H:85])[C:25]([C:26]([O:27][P:28](=[O:29])([O:30][H:86])[O:31][P:32](=[O:33])([O:34][H:87])[O:35][C:36]([C@:37]1([H:88])[O:38][C@@:39]([N:40]2:[C:41]([H:89]):[C:42]([H:90]):[C:43]([N:44]([H:91])[H:92]):[N:45]:[C:46]:2=[O:47])([H:93])[C@:48]([O:49][H:94])([H:95])[C@:50]1([O:51][H:96])[H:97])([H:98])[H:99])([H:100])[H:101])([H:102])[H:103])([H:104])([H:105])[H:106]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6](=[O:7])[O:8][C:9]([C:10]([C:11]([O:12][P:32](=[O:33])([O:34][H:87])[O:35][C:36]([C@:37]1([H:88])[O:38][C@@:39]([N:40]2:[C:41]([H:89]):[C:42]([H:90]):[C:43]([N:44]([H:91])[H:92]):[N:45]:[C:46]:2=[O:47])([H:93])[C@:48]([O:49][H:94])([H:95])[C@:50]1([O:51][H:96])[H:97])([H:98])[H:99])([H:53])[H:54])([O:13][C:14](=[O:15])[C:16]([C:17]([C:18]([C:19]([C:20]([H:55])([H:56])[H:57])([H:58])[H:59])([H:60])[H:61])([H:62])[H:63])([H:64])[H:65])[H:66])([H:67])[H:68])([H:69])[H:70])([H:71])[H:72])([H:73])[H:74])([H:75])[H:76])([H:77])([H:78])[H:79].[H][O:31][P:28]([O:27][C:26]([C:25]([N+:22]([C:21]([H:104])([H:105])[H:106])([C:23]([H:80])([H:81])[H:82])[C:24]([H:83])([H:84])[H:85])([H:102])[H:103])([H:100])[H:101])(=[O:29])[O:30][H:86]