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EVODEX.1-P3874

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]C1:C(O[C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:40])([H:41])[H:42])([H:38])[H:39])([H:36])[H:37])([H:34])[H:35])([H:32])[H:33])([H:30])[H:31])=[O:8]):C([H]):C2:O:C(=O):C([H]):C(C([H])([H])[H]):C:2:C:1[H].[H][O:22][H:43]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7](=[O:8])[O:22][H:43])([H:30])[H:31])([H:32])[H:33])([H:34])[H:35])([H:36])[H:37])([H:38])[H:39])([H:40])([H:41])[H:42]

Derived Operators

EVODEX.1-F231 - Elemental Balance

O-3
C-10
H-8

EVODEX.1-M48 - Mass Difference

-176.04734

EVODEX.1-E951 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:17]-[#6:18](=[#8:19])-[#8]-[#6]1:[#6](-[H]):[#6](-[H]):[#6]2:[#6](-[#6](-[H])(-[H])-[H]):[#6](-[H]):[#6](=[#8]):[#8]:[#6]:2:[#6]:1-[H].[#8:33](-[H:74])-[H]>>[#6:17]-[#6:18](=[#8:19])-[#8:33]-[H:74]

EVODEX.1-C496 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6]1:[#6](-[#8]-[#6:2]):[#6](-[H]):[#6]2:[#8]:[#6](=[#8]):[#6](-[H]):[#6](-[#6](-[H])(-[H])-[H]):[#6]:2:[#6]:1-[H].[H]-[#8:17]>>[#6:2]-[#8:17]

EVODEX.1-N610 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6]1:[#6](-[#8]-[#6:2](-[#6:1])=[#8:3]):[#6](-[H]):[#6]2:[#8]:[#6](=[#8]):[#6](-[H]):[#6](-[#6](-[H])(-[H])-[H]):[#6]:2:[#6]:1-[H].[H]-[#8:17]-[H:28]>>[#6:1]-[#6:2](=[#8:3])-[#8:17]-[H:28]

EVODEX.1-Em30 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6]-[#8]-[#6:3](=[#8:2])-[#6:4].[H]-[#8:1]>>[#8:1]-[#6:3](=[#8:2])-[#6:4]

EVODEX.1-Cm6 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#8:7].[#8]-[#6:11]>>[#8:7]-[#6:11]

EVODEX.1-Nm30 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6]-[#8]-[#6:3](=[#8:2])-[#6:4].[H]-[#8:1]>>[#8:1]-[#6:3](=[#8:2])-[#6:4]

Source Full Reactions

EVODEX.1-R4734

Full Reaction Rendering

[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7](=[O:8])[O:9][C:10]1:[C:11]([H:23]):[C:12]([H:24]):[C:13]2:[C:14]([C:15]([H:25])([H:26])[H:27]):[C:16]([H:28]):[C:17](=[O:18]):[O:19]:[C:20]:2:[C:21]:1[H:29])([H:30])[H:31])([H:32])[H:33])([H:34])[H:35])([H:36])[H:37])([H:38])[H:39])([H:40])([H:41])[H:42].[H][O:22][H:43]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7](=[O:8])[O:22][H:43])([H:30])[H:31])([H:32])[H:33])([H:34])[H:35])([H:36])[H:37])([H:38])[H:39])([H:40])([H:41])[H:42].[H][O:9][C:10]1:[C:11]([H:23]):[C:12]([H:24]):[C:13]2:[C:14]([C:15]([H:25])([H:26])[H:27]):[C:16]([H:28]):[C:17](=[O:18]):[O:19]:[C:20]:2:[C:21]:1[H:29]