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EVODEX.1-P3586

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:19][P:17]([O:16][C:15]([C@:14]1([H:53])[C:13]([H:48])=[C:12]([H:47])[C@@:11]([N:10]2:[C:6]3:[N:5]:[C:4]([H:44]):[N:3]:[C:2]([N:1]([H:54])[H:55]):[C:7]:3:[N:8]:[C:9]:2[H:45])([H:46])[O:21]1)([H:51])[H:52])(=[O:18])[O:20][H:50]>>[H]OP(=O)(O[H])OP(=O)(O[H])[O:19][P:17]([O:16][C:15]([C@:14]1([H:53])[C:13]([H:48])=[C:12]([H:47])[C@@:11]([N:10]2:[C:6]3:[N:5]:[C:4]([H:44]):[N:3]:[C:2]([N:1]([H:54])[H:55]):[C:7]:3:[N:8]:[C:9]:2[H:45])([H:46])[O:21]1)([H:51])[H:52])(=[O:18])[O:20][H:50]

Derived Operators

EVODEX.1-F409 - Elemental Balance

P2
O6
H2

EVODEX.1-M159 - Mass Difference

159.93266

EVODEX.1-E1216 - Reaction Operator E

Reaction Operator E SMIRKS

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

EVODEX.1-C122 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N466 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:19]-[#15:17]>>[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:19]-[#15:17]

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-R4324

Full Reaction Rendering

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