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EVODEX.1-P4010

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:9][C:10]([C@@:11]1([H:24])[C:12]([H:25])([H:26])[O:13]1)([H:27])[H:28]>>[H]C([H])([H])C([H])([H])C([H])([H])C(=O)[O:9][C:10]([C@@:11]1([H:24])[C:12]([H:25])([H:26])[O:13]1)([H:27])[H:28]

Derived Operators

EVODEX.1-F82 - Elemental Balance

O1
C4
H6

EVODEX.1-M223 - Mass Difference

70.04188

EVODEX.1-E650 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:9](-[#6:10])-[H]>>[#6](=[#8])(-[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])-[#8:9]-[#6:10]

EVODEX.1-C304 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8:9]>>[H]-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8:9]

EVODEX.1-N350 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:9]-[#6:10]>>[H]-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8:9]-[#6:10]

EVODEX.1-Em8 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#8:28]-[#6:27]>>[#6]-[#6](=[#8])-[#8:28]-[#6:27]

EVODEX.1-Cm7 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#8:28]>>[#6]-[#8:28]

EVODEX.1-Nm5 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#8:28]-[#6:27]>>[#6]-[#6](=[#8])-[#8:28]-[#6:27]

Source Full Reactions

EVODEX.1-R4856

Full Reaction Rendering

[C:1](=[C:2]([O:3][C:4](=[O:5])[C:6]([C:7]([C:8]([H:14])([H:15])[H:16])([H:17])[H:18])([H:19])[H:20])[H:21])([H:22])[H:23].[H][O:9][C:10]([C@@:11]1([H:24])[C:12]([H:25])([H:26])[O:13]1)([H:27])[H:28]>>[C:4](=[O:5])([C:6]([C:7]([C:8]([H:14])([H:15])[H:16])([H:17])[H:18])([H:19])[H:20])[O:9][C:10]([C@@:11]1([H:24])[C:12]([H:25])([H:26])[O:13]1)([H:27])[H:28].[H][O:3][C:2](=[C:1]([H:22])[H:23])[H:21]