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EVODEX.1-P5692

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E98 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:6]-[#6:7](-[#7:8](-[H:11])-[H:12])=[#8:9].[#8:10](-[H:21])-[H]>>[#6:6]-[#6:7](=[#8:9])-[#8:10]-[H:21].[#7:8](-[H:11])(-[H:12])-[H]

EVODEX.1-C12 - Reaction Operator C

Reaction Operator C SMIRKS

[#7:23]-[#6:24].[H]-[#8:1]>>[H]-[#7:23].[#8:1]-[#6:24]

EVODEX.1-N723 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:8]-[#6:9](-[#7:10](-[H:25])-[H:26])=[#8:11].[H]-[#8:24]-[H:45]>>[#6:8]-[#6:9](=[#8:11])-[#8:24]-[H:45].[H]-[#7:10](-[H:25])-[H:26]

EVODEX.1-Em643 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:8]-[#6:9](-[#7:10])=[#8:11].[H]-[#8:24]>>[#6:8]-[#6:9](=[#8:11])-[#8:24].[H]-[#7:10]

EVODEX.1-Cm24 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#7:23]-[#6:24].[H]-[#8:1]>>[H]-[#7:23].[#8:1]-[#6:24]

EVODEX.1-Nm578 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:8]-[#6:9](-[#7:10])=[#8:11].[H]-[#8:24]>>[#6:8]-[#6:9](=[#8:11])-[#8:24].[H]-[#7:10]

Source Full Reactions

EVODEX.1-R6404

Full Reaction Rendering

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