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EVODEX.1-P4491

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]OC([H])([H])[C@@]1([H])O[C@]([H])([O:7][C:8]2:[C:9]([H:27]):[C:10]([H:28]):[C:11]([H:29]):[C:12]([H:30]):[C:13]:2[N+:14](=[O:15])[O-:16])[C@]([H])(N([H])C(=O)C([H])([H])[H])[C@@]([H])(O[H])[C@@]1([H])O[H]>>[H][O:7][C:8]1:[C:9]([H:27]):[C:10]([H:28]):[C:11]([H:29]):[C:12]([H:30]):[C:13]:1[N+:14](=[O:15])[O-:16]

Derived Operators

EVODEX.1-F392 - Elemental Balance

O-5
C-8
N-1
H-13

EVODEX.1-M388 - Mass Difference

-203.07938999999996

EVODEX.1-E1197 - Reaction Operator E

Reaction Operator E SMIRKS

[#6](-[#6](=[#8])-[#7](-[#6@@]1(-[H])-[#6](-[#8:7]-[#6@:8])(-[H])-[#8]-[#6@@](-[#6](-[#8]-[H])(-[H])-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[H])-[H])-[H])(-[H])(-[H])-[H]>>[#8:7](-[#6@:8])-[H]

EVODEX.1-C530 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8]-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6](-[H])(-[#8:7])-[#6@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6](-[H])(-[H])-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@@]-1(-[H])-[#8]-[H]>>[H]-[#8:7]

EVODEX.1-N674 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8]-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6](-[H])(-[#8:7]-[#6@:8])-[#6@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6](-[H])(-[H])-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@@]-1(-[H])-[#8]-[H]>>[H]-[#8:7]-[#6@:8]

EVODEX.1-Em15 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8]-[#6](-[H])(-[#8:2]-[#6:1])-[#6]>>[H]-[#8:2]-[#6:1]

EVODEX.1-Cm8 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6]-[#8:2]>>[H]-[#8:2]

EVODEX.1-Nm18 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#8]-[#6](-[H])(-[#8:2]-[#6:1])-[#6]>>[H]-[#8:2]-[#6:1]

Source Full Reactions

EVODEX.1-R5330

Full Reaction Rendering

[C:1]([C:2](=[O:3])[N:4]([C@@:5]1([H:26])[C@:6]([O:7][C:8]2:[C:9]([H:27]):[C:10]([H:28]):[C:11]([H:29]):[C:12]([H:30]):[C:13]:2[N+:14](=[O:15])[O-:16])([H:31])[O:17][C@@:18]([C:19]([O:20][H:32])([H:33])[H:34])([H:35])[C@@:21]([O:22][H:36])([H:37])[C@@:23]1([O:24][H:38])[H:39])[H:40])([H:41])([H:42])[H:43].[H][O:25][H:44]>>[C:1]([C:2](=[O:3])[N:4]([C@@:5]1([H:26])[C:6]([O:25][H:44])([H:31])[O:17][C@@:18]([C:19]([O:20][H:32])([H:33])[H:34])([H:35])[C@@:21]([O:22][H:36])([H:37])[C@@:23]1([O:24][H:38])[H:39])[H:40])([H:41])([H:42])[H:43].[H][O:7][C:8]1:[C:9]([H:27]):[C:10]([H:28]):[C:11]([H:29]):[C:12]([H:30]):[C:13]:1[N+:14](=[O:15])[O-:16]