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EVODEX.1-P6450

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C@@:3]([C:2](=[O:1])[H:20])([O:4][H])[C@@:5]([O:6][H:12])([C@:7]([O:8][H:13])([C:9]([O:10][H:14])([H:15])[H:16])[H:17])[H:18]>>[H][C:5]([C:3]([C:2](=[O:1])[H:20])=[O:4])([C@:7]([O:8][H:13])([C:9]([O:10][H:14])([H:15])[H:16])[H:17])[H:18].[H][O:6][H:12]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E241 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:1]=[#6:2]-[#6@:3](-[#8:4]-[H])(-[#6@@:5](-[#8:6]-[H:12])(-[#6@:7])-[H:18])-[H]>>[#8:1]=[#6:2]-[#6:3](=[#8:4])-[#6:5](-[#6@:7])(-[H:18])-[H].[#8:6](-[H:12])-[H]

EVODEX.1-C895 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6@@:3](-[#8:4]-[H])-[#6@@:5]-[#8:6]>>[H]-[#6:5]-[#6:3]=[#8:4].[H]-[#8:6]

EVODEX.1-N1121 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6@@:3](-[#6:2])(-[#8:4]-[H])-[#6@@:5](-[#8:6]-[H:12])(-[#6@:7])-[H:18]>>[H]-[#6:5](-[#6:3](-[#6:2])=[#8:4])(-[#6@:7])-[H:18].[H]-[#8:6]-[H:12]

EVODEX.1-Em611 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:3](-[#6:2]=[#8:1])(-[#8:4]-[H])-[#6:5](-[#8:6])-[#6:7]>>[H]-[#6:5](-[#6:3](-[#6:2]=[#8:1])=[#8:4])-[#6:7].[H]-[#8:6]

EVODEX.1-Cm263 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:3](-[#8:4]-[H])-[#6:5]-[#8:6]>>[H]-[#6:5]-[#6:3]=[#8:4].[H]-[#8:6]

EVODEX.1-Nm546 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:3](-[#6:2])(-[#8:4]-[H])-[#6:5](-[#8:6])-[#6:7]>>[H]-[#6:5](-[#6:3](-[#6:2])=[#8:4])-[#6:7].[H]-[#8:6]

Source Full Reactions

EVODEX.1-R7035

Full Reaction Rendering

[H][C@@:3]([C:2](=[O:1])[H:20])([O:4][H])[C@@:5]([O:6][H:12])([C@:7]([O:8][H:13])([C:9]([O:10][H:14])([H:15])[H:16])[H:17])[H:18]>>[H][C:5]([C:3]([C:2](=[O:1])[H:20])=[O:4])([C@:7]([O:8][H:13])([C:9]([O:10][H:14])([H:15])[H:16])[H:17])[H:18].[H][O:6][H:12]