EVODEX Logo

EVODEX.1-P5486

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E97 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:2]-[#6:3](-[#8:4]-[#6:5])(-[H:20])-[H:21].[#8:14](-[H:27])-[H]>>[#6:2]-[#6:3](-[#8:14]-[H:27])(-[H:20])-[H:21].[#8:4](-[#6:5])-[H]

EVODEX.1-C1 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:5]-[#8:6].[H]-[#8:44]>>[#6:5]-[#8:44].[H]-[#8:6]

EVODEX.1-N638 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:1]-[#6:2](-[#8:3]-[#6:4])(-[H:21])-[H:22].[H]-[#8:13]-[H:26]>>[#6:1]-[#6:2](-[#8:13]-[H:26])(-[H:21])-[H:22].[H]-[#8:3]-[#6:4]

EVODEX.1-Em117 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:1]-[#6:2]-[#8:3]-[#6:4].[H]-[#8:13]>>[#6:1]-[#6:2]-[#8:13].[H]-[#8:3]-[#6:4]

EVODEX.1-Cm2 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:5]-[#8:6].[H]-[#8:44]>>[#6:5]-[#8:44].[H]-[#8:6]

EVODEX.1-Nm151 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:1]-[#6:2]-[#8:3]-[#6:4].[H]-[#8:13]>>[#6:1]-[#6:2]-[#8:13].[H]-[#8:3]-[#6:4]

Source Full Reactions

EVODEX.1-R6227

Full Reaction Rendering

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