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EVODEX.1-P3591

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:19][P:17]([C:16]([O:15][C@:12]([C:11]([N:10]1:[C:6]2:[N:5]:[C:4]([H:43]):[N:3]:[C:2]([N:1]([H:54])[H:55]):[C:7]:2:[N:8]:[C:9]:1[H:44])([H:52])[H:53])([C:13]([F:14])([H:45])[H:46])[H:51])([H:49])[H:50])(=[O:18])[O:20][H:48]>>[H]OP(=O)(O[H])OP(=O)(O[H])[O:19][P:17]([C:16]([O:15][C@:12]([C:11]([N:10]1:[C:6]2:[N:5]:[C:4]([H:43]):[N:3]:[C:2]([N:1]([H:54])[H:55]):[C:7]:2:[N:8]:[C:9]:1[H:44])([H:52])[H:53])([C:13]([F:14])([H:45])[H:46])[H:51])([H:49])[H:50])(=[O:18])[O:20][H:48]

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-R4328

Full Reaction Rendering

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