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EVODEX.1-P3453

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:25][C:24]([C@@:23]1([H:38])[O:22][C@:21]([N:20]2:[C:18](=[O:19]):[N:17]([H:33]):[C:16](=[O:15]):[C:31]([Cl:32]):[C:30]:2[H:43])([H:34])[C@@:28]([O:29][H:41])([H:42])[C@@:26]1([O:27][H:39])[H:40])([H:36])[H:37]>>[H]OP(=O)(O[H])[O:25][C:24]([C@@:23]1([H:38])[O:22][C@:21]([N:20]2:[C:18](=[O:19]):[N:17]([H:33]):[C:16](=[O:15]):[C:31]([Cl:32]):[C:30]:2[H:43])([H:34])[C@@:28]([O:29][H:41])([H:42])[C@@:26]1([O:27][H:39])[H:40])([H:36])[H:37]

Derived Operators

EVODEX.1-F273 - Elemental Balance

P1
O3
H1

EVODEX.1-M13 - Mass Difference

79.96633

EVODEX.1-C15 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N12 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:27]-[#6:26]>>[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:27]-[#6:26]

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-R4138

Full Reaction Rendering

[H][O:25][C:24]([C@@:23]1([H:38])[O:22][C@:21]([N:20]2:[C:18](=[O:19]):[N:17]([H:33]):[C:16](=[O:15]):[C:31]([Cl:32]):[C:30]:2[H:43])([H:34])[C@@:28]([O:29][H:41])([H:42])[C@@:26]1([O:27][H:39])[H:40])([H:36])[H:37].[O:1]=[N+:2]([O-:3])[C:4]1:[C:5]([H:44]):[C:6]([H:45]):[C:7]([O:8][P:9](=[O:10])([O:11][H:46])[O:12][H:47]):[C:13]([H:48]):[C:14]:1[H:49]>>[H][O:8][C:7]1:[C:6]([H:45]):[C:5]([H:44]):[C:4]([N+:2](=[O:1])[O-:3]):[C:14]([H:49]):[C:13]:1[H:48].[P:9](=[O:10])([O:11][H:46])([O:12][H:47])[O:25][C:24]([C@@:23]1([H:38])[O:22][C@:21]([N:20]2:[C:18](=[O:19]):[N:17]([H:33]):[C:16](=[O:15]):[C:31]([Cl:32]):[C:30]:2[H:43])([H:34])[C@@:28]([O:29][H:41])([H:42])[C@@:26]1([O:27][H:39])[H:40])([H:36])[H:37]