EVODEX.1-P5917

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[N:1]#[C:2][C:3]([O:4][H:19])([C:5]1:[C:6]([H:20]):[C:7]([H:21]):[C:8]([H:22]):[C:9]([O:10][C:11]2:[C:12]([H:23]):[C:13]([H:24]):[C:14]([H:25]):[C:15]([H:26]):[C:16]:2[H:27]):[C:17]:1[H:28])[H:29].[H][O:18][H]>>[H][N:1]([H])[C:2]([C:3]([O:4][H:19])([C:5]1:[C:6]([H:20]):[C:7]([H:21]):[C:8]([H:22]):[C:9]([O:10][C:11]2:[C:12]([H:23]):[C:13]([H:24]):[C:14]([H:25]):[C:15]([H:26]):[C:16]:2[H:27]):[C:17]:1[H:28])[H:29])=[O:18]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E83 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:5](-[#6@:4])#[#7:6].[#8:14](-[H])-[H]>>[#6:5](-[#6@:4])(-[#7:6](-[H])-[H])=[#8:14]

EVODEX.1-C190 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N881 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:7](-[#6@@:5])#[#7:8].[H]-[#8:9]-[H]>>[H]-[#7:8](-[H])-[#6:7](-[#6@@:5])=[#8:9]

EVODEX.1-Em693 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:5]-[#6:7]#[#7:8].[H]-[#8:9]-[H]>>[H]-[#7:8](-[H])-[#6:7](-[#6:5])=[#8:9]

EVODEX.1-Cm171 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm622 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:5]-[#6:7]#[#7:8].[H]-[#8:9]-[H]>>[H]-[#7:8](-[H])-[#6:7](-[#6:5])=[#8:9]

Source Full Reactions

EVODEX.1-R6582

Full Reaction Rendering

[N:1]#[C:2][C:3]([O:4][H:19])([C:5]1:[C:6]([H:20]):[C:7]([H:21]):[C:8]([H:22]):[C:9]([O:10][C:11]2:[C:12]([H:23]):[C:13]([H:24]):[C:14]([H:25]):[C:15]([H:26]):[C:16]:2[H:27]):[C:17]:1[H:28])[H:29].[H][O:18][H]>>[H][N:1]([H])[C:2]([C:3]([O:4][H:19])([C:5]1:[C:6]([H:20]):[C:7]([H:21]):[C:8]([H:22]):[C:9]([O:10][C:11]2:[C:12]([H:23]):[C:13]([H:24]):[C:14]([H:25]):[C:15]([H:26]):[C:16]:2[H:27]):[C:17]:1[H:28])[H:29])=[O:18]