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EVODEX.1-P3898

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F104 - Elemental Balance

C-2
H-2

EVODEX.1-M234 - Mass Difference

-26.01566

EVODEX.1-E689 - Reaction Operator E

Reaction Operator E SMIRKS

[#6](=[#6](-[#8:3]-[#6:4])-[H])(-[H])-[H]>>[#8:3](-[#6:4])-[H]

EVODEX.1-C504 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6](-[H])=[#6](-[H])-[#8:3]>>[H]-[#8:3]

EVODEX.1-N621 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6](-[H])=[#6](-[H])-[#8:3]-[#6:4]>>[H]-[#8:3]-[#6:4]

EVODEX.1-Em591 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6]=[#6](-[H])-[#8:3]-[#6:4]>>[H]-[#8:3]-[#6:4]

EVODEX.1-Cm8 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm530 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6]=[#6](-[H])-[#8:3]-[#6:4]>>[H]-[#8:3]-[#6:4]

Source Full Reactions

EVODEX.1-R4756

Full Reaction Rendering

[C:1](=[C:2]([O:3][C:4](=[O:5])[C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12]([H:14])([H:15])[H:16])([H:17])[H:18])([H:19])[H:20])([H:21])[H:22])([H:23])[H:24])([H:25])[H:26])([H:27])[H:28])[H:29])([H:30])[H:31].[H][O:13][H:32]>>[C:1](=[C:2]([O:13][H:32])[H:29])([H:30])[H:31].[H][O:3][C:4](=[O:5])[C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12]([H:14])([H:15])[H:16])([H:17])[H:18])([H:19])[H:20])([H:21])[H:22])([H:23])[H:24])([H:25])[H:26])([H:27])[H:28]