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EVODEX.1-P4559

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E105 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:9]1-[#6@@:8]-[#6@@:10]-1(-[#6:11])-[H:40].[#8:22](-[H:47])-[H]>>[#8:9](-[#6@@:8]-[#6@:10](-[#6:11])(-[#8:22]-[H:47])-[H:40])-[H]

EVODEX.1-C35 - Reaction Operator C

Reaction Operator C SMIRKS

[#8:7]-[#6@@:6].[H]-[#8:18]>>([H]-[#8:7].[#8:18]-[#6@@:6])

EVODEX.1-N102 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:5]-[#6@@:6]1(-[H:21])-[#8:7]-[#6@:8]-1.[H]-[#8:18]-[H:35]>>[H]-[#8:7]-[#6@:8]-[#6@@:6](-[#6:5])(-[#8:18]-[H:35])-[H:21]

EVODEX.1-Em126 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:5]-[#6:6]1-[#8:7]-[#6:8]-1.[H]-[#8:18]>>[H]-[#8:7]-[#6:8]-[#6:6](-[#6:5])-[#8:18]

EVODEX.1-Cm70 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:6]-[#8:7].[H]-[#8:18]>>([H]-[#8:7].[#6:6]-[#8:18])

EVODEX.1-Nm160 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:5]-[#6:6]1-[#8:7]-[#6:8]-1.[H]-[#8:18]>>[H]-[#8:7]-[#6:8]-[#6:6](-[#6:5])-[#8:18]

Source Full Reactions

EVODEX.1-R5394

Full Reaction Rendering

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