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EVODEX.1-P3590

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]OP(=O)(O[H])OP(=O)(O[H])[O:18][P:15]([C:14]([O:13][C:12]([O:11][N:10]1:[C:6]2:[N:5]:[C:4]([H:41]):[N:3]:[C:2]([N:1]([H:51])[H:52]):[C:7]:2:[N:8]:[C:9]:1[H:42])([H:49])[H:50])([H:47])[H:48])(=[O:16])[O:17][H:43]>>[H][O:18][P:15]([C:14]([O:13][C:12]([O:11][N:10]1:[C:6]2:[N:5]:[C:4]([H:41]):[N:3]:[C:2]([N:1]([H:51])[H:52]):[C:7]:2:[N:8]:[C:9]:1[H:42])([H:49])[H:50])([H:47])[H:48])(=[O:16])[O:17][H:43]

Derived Operators

EVODEX.1-F115 - Elemental Balance

P-2
O-6
H-2

EVODEX.1-M239 - Mass Difference

-159.93266

EVODEX.1-E731 - Reaction Operator E

Reaction Operator E SMIRKS

[#15:16]-[#8:19]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H]>>[#15:16]-[#8:19]-[H]

EVODEX.1-C473 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:11]>>[H]-[#8:11]

EVODEX.1-N577 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:11]-[#15:12]>>[H]-[#8:11]-[#15:12]

EVODEX.1-Em35 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8]-[#15](=[#8])(-[#8])-[#8:50]-[#15:51]>>[H]-[#8:50]-[#15:51]

EVODEX.1-Cm44 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#15]-[#8:50]>>[H]-[#8:50]

EVODEX.1-Nm37 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#8]-[#15](=[#8])(-[#8])-[#8:50]-[#15:51]>>[H]-[#8:50]-[#15:51]

Source Full Reactions

EVODEX.1-R4327

Full Reaction Rendering

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