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EVODEX.1-P3327

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:16][C:15]([C@@:14]1([H:58])[O:13][C@:12]([N:11]2:[C:7]3:[C:5]([F:6]):[C:4]([H:52]):[N:3]:[C:2]([N:1]([H:63])[H:64]):[C:8]:3:[N:9]:[C:10]:2[H:53])([H:54])[C@@:19]([O:20][H:61])([H:62])[C@@:17]1([O:18][H:59])[H:60])([H:56])[H:57]>>[H]OP(=O)(O[H])OP(=O)(O[H])[O:16][C:15]([C@@:14]1([H:58])[O:13][C@:12]([N:11]2:[C:7]3:[C:5]([F:6]):[C:4]([H:52]):[N:3]:[C:2]([N:1]([H:63])[H:64]):[C:8]:3:[N:9]:[C:10]:2[H:53])([H:54])[C@@:19]([O:20][H:61])([H:62])[C@@:17]1([O:18][H:59])[H:60])([H:56])[H:57]

Derived Operators

EVODEX.1-F409 - Elemental Balance

P2
O6
H2

EVODEX.1-M159 - Mass Difference

159.93266

EVODEX.1-E1215 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:46](-[#6@@:45])-[H]>>[#8:46](-[#6@@:45])-[#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-N574 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:25]-[#6@:24]>>[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:25]-[#6@:24]

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-R3975

Full Reaction Rendering

[H][O:16][C:15]([C@@:14]1([H:58])[O:13][C@:12]([N:11]2:[C:7]3:[C:5]([F:6]):[C:4]([H:52]):[N:3]:[C:2]([N:1]([H:63])[H:64]):[C:8]:3:[N:9]:[C:10]:2[H:53])([H:54])[C@@:19]([O:20][H:61])([H:62])[C@@:17]1([O:18][H:59])[H:60])([H:56])[H:57].[N:21]([C:22]1:[N:23]:[C:24]([H:65]):[N:25]:[C:26]2:[C:27]:1:[N:28]:[C:29]([H:66]):[N:30]:2[C@:31]1([H:67])[O:32][C@@:33]([C:34]([O:35][P:36](=[O:37])([O:38][H:68])[O:39][P:40](=[O:41])([O:42][H:69])[O:43][P:44](=[O:45])([O:46][H:70])[O:47][H:71])([H:72])[H:73])([H:74])[C@:48]([O:49][H:75])([H:76])[C@:50]1([O:51][H:77])[H:78])([H:79])[H:80]>>[N:1]([C:2]1:[N:3]:[C:4]([H:52]):[C:5]([F:6]):[C:7]2:[C:8]:1:[N:9]:[C:10]([H:53]):[N:11]:2[C@:12]1([H:54])[O:13][C@@:14]([C:15]([O:16][P:40](=[O:41])([O:42][H:69])[O:43][P:44](=[O:45])([O:46][H:70])[O:47][H:71])([H:56])[H:57])([H:58])[C@:17]([O:18][H:59])([H:60])[C@:19]1([O:20][H:61])[H:62])([H:63])[H:64].[H][O:39][P:36]([O:35][C:34]([C@@:33]1([H:74])[O:32][C@:31]([N:30]2:[C:26]3:[N:25]:[C:24]([H:65]):[N:23]:[C:22]([N:21]([H:79])[H:80]):[C:27]:3:[N:28]:[C:29]:2[H:66])([H:67])[C@@:50]([O:51][H:77])([H:78])[C@@:48]1([O:49][H:75])[H:76])([H:72])[H:73])(=[O:37])[O:38][H:68]