EVODEX Logo

EVODEX.1-P4563

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F9 - Elemental Balance

O1
H2

EVODEX.1-M2 - Mass Difference

18.010559999999998

EVODEX.1-E348 - Reaction Operator E

Reaction Operator E SMIRKS

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

EVODEX.1-C68 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:9]-[#8:11]>>([H]-[#8]-[#6:9].[#8:11]-[H])

EVODEX.1-N692 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:8]-[#6:9]1(-[H:17])-[#6:10]-[#8:11]-1>>[H]-[#8]-[#6:9](-[#6:8])(-[#6:10]-[#8:11]-[H])-[H:17]

EVODEX.1-Em125 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm69 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm159 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R5398

Full Reaction Rendering

[C:1]([O:2][C:3]1:[C:4]([H:15]):[C:5]([H:16]):[C:6]([O:7][C:8]([C:9]2([H:17])[C:10]([H:18])([H:19])[O:11]2)([H:20])[H:21]):[C:12]([H:22]):[C:13]:1[H:23])([H:24])([H:25])[H:26].[H][O:14][H:27]>>[H][O:11][C:10]([C:9]([C:8]([O:7][C:6]1:[C:5]([H:16]):[C:4]([H:15]):[C:3]([O:2][C:1]([H:24])([H:25])[H:26]):[C:13]([H:23]):[C:12]:1[H:22])([H:20])[H:21])([O:14][H:27])[H:17])([H:18])[H:19]