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EVODEX.1-P3913

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F9 - Elemental Balance

O1
H2

EVODEX.1-M2 - Mass Difference

18.010559999999998

EVODEX.1-E344 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:2]-[#6:3](-[#8:4]-[#6:5])(-[H:20])-[H:21]>>[#6:2]-[#6:3](-[#8]-[H])(-[H:20])-[H:21].[#8:4](-[#6:5])-[H]

EVODEX.1-C7 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:3]-[#8:4]>>[H]-[#8]-[#6:3].[H]-[#8:4]

EVODEX.1-N1241 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:5]-[#6:6](-[#8:7]-[#6@:8])(-[H:48])-[H:49]>>[H]-[#8]-[#6:6](-[#6:5])(-[H:48])-[H:49].[H]-[#8:7]-[#6@:8]

EVODEX.1-Em115 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:18]-[#6:19]-[#8:20]-[#6:21]>>[H]-[#8]-[#6:19]-[#6:18].[H]-[#8:20]-[#6:21]

EVODEX.1-Cm11 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:3]-[#8:4]>>[#8]-[#6:3].[H]-[#8:4]

EVODEX.1-Nm147 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:18]-[#6:19]-[#8:20]-[#6:21]>>[H]-[#8]-[#6:19]-[#6:18].[H]-[#8:20]-[#6:21]

Source Full Reactions

EVODEX.1-R4768

Full Reaction Rendering

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