EVODEX.1-P4124 - Partial Reaction

SMIRKS

[H][O:17][C:18]([C:19]([O:20][H:35])([C:21]([O:22][H:36])([H:37])[H:38])[H:39])([H:40])[H:41]>>[H]OC1:C(OC([H])([H])[H]):C([H]):C(C([H])=C([H])C(=O)[O:17][C:18]([C:19]([O:20][H:35])([C:21]([O:22][H:36])([H:37])[H:38])[H:39])([H:40])[H:41]):C([H]):C:1OC([H])([H])[H]

Derived Operators

EVODEX.1-F232 - Elemental Balance

C	11
O	4
H	10

EVODEX.1-M292 - Mass Difference

206.0579

EVODEX.1-E952 - Reaction Operator E

[#8:17](-[#6:18])-[H]>>[#6](-[#8]-[#6]1:[#6](-[H]):[#6](-[#6](=[#6](-[#6](=[#8])-[#8:17]-[#6:18])-[H])-[H]):[#6](-[H]):[#6](-[#8]-[#6](-[H])(-[H])-[H]):[#6]:1-[#8]-[H])(-[H])(-[H])-[H]

EVODEX.1-C366 - Reaction Operator C

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

EVODEX.1-N419 - Reaction Operator N

[H]-[#8:17]-[#6:18]>>[H]-[#8]-[#6]1:[#6](-[#8]-[#6](-[H])(-[H])-[H]):[#6](-[H]):[#6](-[#6](-[H])=[#6](-[H])-[#6](=[#8])-[#8:17]-[#6:18]):[#6](-[H]):[#6]:1-[#8]-[#6](-[H])(-[H])-[H]

EVODEX.1-Em42 - Reaction Operator Em

[H]-[#8:17]-[#6:18]>>[#6]=[#6]-[#6](=[#8])-[#8:17]-[#6:18]

EVODEX.1-Cm7 - Reaction Operator Cm

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

EVODEX.1-Nm5 - Reaction Operator Nm

[H]-[#8:28]-[#6:27]>>[#6]-[#6](=[#8])-[#8:28]-[#6:27]

Source Full Reactions

EVODEX.1-R4965

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