EVODEX Logo

EVODEX.1-P4227

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E96 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:9](-[#6@@:8])(-[#8:10]-[#15:11])(-[H:62])-[H:63].[#8:44](-[H:71])-[H]>>[#6:9](-[#6@@:8])(-[#8:44]-[H:71])(-[H:62])-[H:63].[#8:10](-[#15:11])-[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-N659 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:9](-[#6@@:8])(-[#8:10]-[#15:11])(-[H:33])-[H:34].[H]-[#8:26]-[H:42]>>[#6:9](-[#6@@:8])(-[#8:26]-[H:42])(-[H:33])-[H:34].[H]-[#8:10]-[#15:11]

EVODEX.1-Em121 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:8]-[#6:9]-[#8:10]-[#15:11].[H]-[#8:26]>>[#6:8]-[#6:9]-[#8:26].[H]-[#8:10]-[#15:11]

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-Nm155 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:8]-[#6:9]-[#8:10]-[#15:11].[H]-[#8:26]>>[#6:8]-[#6:9]-[#8:26].[H]-[#8:10]-[#15:11]

Source Full Reactions

EVODEX.1-R5076

Full Reaction Rendering

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