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EVODEX.1-P3333

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:11][C:10]([C@:9]1([H:73])[C@:7]([O:8][H:68])([H:69])[C:6]([H:66])([H:67])[C@@:5]([N:4]2:[C:3]([H:64]):[C:2]([C:1]([H:75])([H:76])[H:77]):[C:16](=[O:17]):[N:15]([H:74]):[C:13]:2=[O:14])([H:65])[O:12]1)([H:71])[H:72]>>[H]OP(=O)(O[H])OP(=O)(O[H])[O:11][C:10]([C@:9]1([H:73])[C@:7]([O:8][H:68])([H:69])[C:6]([H:66])([H:67])[C@@:5]([N:4]2:[C:3]([H:64]):[C:2]([C:1]([H:75])([H:76])[H:77]):[C:16](=[O:17]):[N:15]([H:74]):[C:13]:2=[O:14])([H:65])[O:12]1)([H:71])[H:72]

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-R3981

Full Reaction Rendering

[C:18]([C:19]1:[C:20]([H:47]):[N:21]([C@@:22]2([H:48])[C:23]([H:49])([H:50])[C@@:24]([O:25][H:51])([H:52])[C@:26]([C:27]([O:28][P:29](=[O:30])([O:31][H:53])[O:32][P:33](=[O:34])([O:35][H:54])[O:36][P:37](=[O:38])([O:39][H:55])[O:40][H:56])([H:57])[H:58])([H:59])[O:41]2):[C:42](=[O:43]):[N:44]([H:60]):[C:45]:1=[O:46])([H:61])([H:62])[H:63].[H][O:11][C:10]([C@:9]1([H:73])[C@:7]([O:8][H:68])([H:69])[C:6]([H:66])([H:67])[C@@:5]([N:4]2:[C:3]([H:64]):[C:2]([C:1]([H:75])([H:76])[H:77]):[C:16](=[O:17]):[N:15]([H:74]):[C:13]:2=[O:14])([H:65])[O:12]1)([H:71])[H:72]>>[H][O:32][P:29]([O:28][C:27]([C@:26]1([H:59])[C@:24]([O:25][H:51])([H:52])[C:23]([H:49])([H:50])[C@@:22]([N:21]2:[C:20]([H:47]):[C:19]([C:18]([H:61])([H:62])[H:63]):[C:45](=[O:46]):[N:44]([H:60]):[C:42]:2=[O:43])([H:48])[O:41]1)([H:57])[H:58])(=[O:30])[O:31][H:53].[C:1]([C:2]1:[C:3]([H:64]):[N:4]([C@@:5]2([H:65])[C:6]([H:66])([H:67])[C@@:7]([O:8][H:68])([H:69])[C@:9]([C:10]([O:11][P:33](=[O:34])([O:35][H:54])[O:36][P:37](=[O:38])([O:39][H:55])[O:40][H:56])([H:71])[H:72])([H:73])[O:12]2):[C:13](=[O:14]):[N:15]([H:74]):[C:16]:1=[O:17])([H:75])([H:76])[H:77]