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EVODEX.1-P6523

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]OC(=O)C([H])(O[H])[N:8]([C:6]([C@@:5]([O:4][C:2]([C:1]([H:30])([H:31])[H:32])=[O:3])([C:14]1:[C:15]([H:24]):[C:16]([H:25]):[C:17]([H:26]):[C:18]([H:27]):[C:19]:1[H:28])[H:29])=[O:7])[H:23]>>[H][N:8]([C:6]([C@@:5]([O:4][C:2]([C:1]([H:30])([H:31])[H:32])=[O:3])([C:14]1:[C:15]([H:24]):[C:16]([H:25]):[C:17]([H:26]):[C:18]([H:27]):[C:19]:1[H:28])[H:29])=[O:7])[H:23]

Derived Operators

EVODEX.1-F97 - Elemental Balance

C-2
O-3
H-2

EVODEX.1-M109 - Mass Difference

-74.00036

EVODEX.1-E682 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:4]-[#7:5](-[#6](-[#8]-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H:20]>>[#6:4]-[#7:5](-[H:20])-[H]

EVODEX.1-C754 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[#8]-[H])-[#7:5]>>[H]-[#7:5]

EVODEX.1-N961 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[#8]-[H])-[#7:5](-[#6:4])-[H:20]>>[H]-[#7:5](-[#6:4])-[H:20]

EVODEX.1-Em779 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6]-[#6](-[H])(-[#8])-[#7:5]-[#6:4]>>[H]-[#7:5]-[#6:4]

EVODEX.1-Cm1 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6]-[#7:7]>>[H]-[#7:7]

EVODEX.1-Nm700 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6]-[#6](-[H])(-[#8])-[#7:5]-[#6:4]>>[H]-[#7:5]-[#6:4]

Source Full Reactions

EVODEX.1-R7103

Full Reaction Rendering

[H][O:10][C:9]([N:8]([C:6]([C@@:5]([O:4][C:2]([C:1]([H:30])([H:31])[H:32])=[O:3])([C:14]1:[C:15]([H:24]):[C:16]([H:25]):[C:17]([H:26]):[C:18]([H:27]):[C:19]:1[H:28])[H:29])=[O:7])[H:23])([C:11](=[O:12])[O:13][H:21])[H:22]>>[H][N:8]([C:6]([C@@:5]([O:4][C:2]([C:1]([H:30])([H:31])[H:32])=[O:3])([C:14]1:[C:15]([H:24]):[C:16]([H:25]):[C:17]([H:26]):[C:18]([H:27]):[C:19]:1[H:28])[H:29])=[O:7])[H:23].[C:9](=[O:10])([C:11](=[O:12])[O:13][H:21])[H:22]