EVODEX Logo

EVODEX.1-P2552

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:24][C:23]1:[C:22]([H:42]):[C:21]([H:41]):[C:20]([C:19](=[C:18]([C:16](=[O:15])[O:17][H:40])[H:47])[H:46]):[C:27]([H:45]):[C:25]:1[O:26][H:44]>>[H]C(=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])[O:24][C:23]1:[C:22]([H:42]):[C:21]([H:41]):[C:20]([C:19](=[C:18]([C:16](=[O:15])[O:17][H:40])[H:47])[H:46]):[C:27]([H:45]):[C:25]:1[O:26][H:44]

Derived Operators

EVODEX.1-F84 - Elemental Balance

C5
H8

EVODEX.1-M106 - Mass Difference

68.06264

EVODEX.1-E652 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:14]-[#8:16]-[H]>>[#6](-[#6](-[#6](-[H])(-[H])-[H])=[#6](-[#6](-[#8:16]-[#6:14])(-[H])-[H])-[H])(-[H])(-[H])-[H]

EVODEX.1-C397 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8:23]>>[H]-[#6](=[#6](-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#8:23]

EVODEX.1-N476 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:23]-[#6:22]>>[H]-[#6](=[#6](-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#8:23]-[#6:22]

EVODEX.1-Em103 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#8:17]-[#6:16]>>[#6]-[#6](-[H])(-[H])-[#8:17]-[#6:16]

EVODEX.1-Cm7 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#8:28]>>[#6]-[#8:28]

EVODEX.1-Nm136 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#8:17]-[#6:16]>>[#6]-[#6](-[H])(-[H])-[#8:17]-[#6:16]

Source Full Reactions

EVODEX.1-R3294

Full Reaction Rendering

[C:1]([C:2]([C:3]([H:28])([H:29])[H:30])=[C:4]([C:5]([O:6][P:7](=[O:8])([O:9][H:31])[O:10][P:11](=[O:12])([O:13][H:32])[O:14][H:33])([H:34])[H:35])[H:36])([H:37])([H:38])[H:39].[H][O:24][C:23]1:[C:22]([H:42]):[C:21]([H:41]):[C:20]([C:19](=[C:18]([C:16](=[O:15])[O:17][H:40])[H:47])[H:46]):[C:27]([H:45]):[C:25]:1[O:26][H:44]>>[C:1]([C:2]([C:3]([H:28])([H:29])[H:30])=[C:4]([C:5]([O:24][C:23]1:[C:22]([H:42]):[C:21]([H:41]):[C:20]([C:19](=[C:18]([C:16](=[O:15])[O:17][H:40])[H:47])[H:46]):[C:27]([H:45]):[C:25]:1[O:26][H:44])([H:34])[H:35])[H:36])([H:37])([H:38])[H:39].[H][O:6][P:7](=[O:8])([O:9][H:31])[O:10][P:11](=[O:12])([O:13][H:32])[O:14][H:33]