EVODEX Logo

EVODEX.1-P4107

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F142 - Elemental Balance

C-4
H-8

EVODEX.1-M248 - Mass Difference

-56.06264

EVODEX.1-E798 - Reaction Operator E

Reaction Operator E SMIRKS

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

EVODEX.1-C495 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N608 - Reaction Operator N

Reaction Operator N SMIRKS

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

EVODEX.1-Em67 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6]-[#6](-[H])(-[H])-[#8:3]-[#6:4]>>[H]-[#8:3]-[#6:4]

EVODEX.1-Cm8 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6]-[#8:2]>>[H]-[#8:2]

EVODEX.1-Nm81 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6]-[#6](-[H])(-[H])-[#8:3]-[#6:4]>>[H]-[#8:3]-[#6:4]

Source Full Reactions

EVODEX.1-R4946

Full Reaction Rendering

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