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EVODEX.1-P3606

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:18][P:16]([O:15][C:14]([C@@:13]1([H:62])[O:12][C@:11]([N:10]2:[C:6]3:[N:5]:[C:4]([H:55]):[N:3]:[C:2]([N:1]([H:68])[H:69]):[C:7]:3:[N:8]:[C:9]:2[H:56])([H:57])[C@@:26]([O:27][H:66])([H:67])[C@@:20]1([O:21][P:22](=[O:23])([O:24][H:63])[O:25][H:64])[H:65])([H:60])[H:61])(=[O:17])[O:19][H:59]>>[H]OP(=O)(O[H])[O:18][P:16]([O:15][C:14]([C@@:13]1([H:62])[O:12][C@:11]([N:10]2:[C:6]3:[N:5]:[C:4]([H:55]):[N:3]:[C:2]([N:1]([H:68])[H:69]):[C:7]:3:[N:8]:[C:9]:2[H:56])([H:57])[C@@:26]([O:27][H:66])([H:67])[C@@:20]1([O:21][P:22](=[O:23])([O:24][H:63])[O:25][H:64])[H:65])([H:60])[H:61])(=[O:17])[O:19][H:59]

Derived Operators

EVODEX.1-F273 - Elemental Balance

P1
O3
H1

EVODEX.1-M13 - Mass Difference

79.96633

EVODEX.1-E1022 - Reaction Operator E

Reaction Operator E SMIRKS

[#15:24]-[#8:26]-[H]>>[#15:24]-[#8:26]-[#15](=[#8])(-[#8]-[H])-[#8]-[H]

EVODEX.1-C15 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8:18]>>[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:18]

EVODEX.1-N17 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:18]-[#15:16]>>[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:18]-[#15:16]

EVODEX.1-Em28 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#8:27]-[#15:25]>>[#8]-[#15](=[#8])(-[#8])-[#8:27]-[#15:25]

EVODEX.1-Cm15 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm28 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#8:27]-[#15:25]>>[#8]-[#15](=[#8])(-[#8])-[#8:27]-[#15:25]

Source Full Reactions

EVODEX.1-R4351

Full Reaction Rendering

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