EVODEX Logo

EVODEX.1-P5713

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E133 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:1](-[H:16])-[H].[#6:5]-[#7:6](-[#6:7](-[#6:8])(-[H:24])-[H:25])-[H:26]>>[#8:1](-[#6:7](-[#6:8])(-[H:24])-[H:25])-[H:16].[#6:5]-[#7:6](-[H:26])-[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-N649 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:3]-[#7:23](-[#6:24](-[#6:25])(-[H:45])-[H:46])-[H:47].[H]-[#8:1]-[H:48]>>[H]-[#7:23](-[#6:3])-[H:47].[#8:1](-[#6:24](-[#6:25])(-[H:45])-[H:46])-[H:48]

EVODEX.1-Em613 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:3]-[#7:23]-[#6:24]-[#6:25].[H]-[#8:1]>>[H]-[#7:23]-[#6:3].[#8:1]-[#6:24]-[#6:25]

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-Nm548 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:3]-[#7:23]-[#6:24]-[#6:25].[H]-[#8:1]>>[H]-[#7:23]-[#6:3].[#8:1]-[#6:24]-[#6:25]

Source Full Reactions

EVODEX.1-R6424

Full Reaction Rendering

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