EVODEX.1-P4115 - Partial Reaction

SMIRKS

[H][O:5][C:4]([C:3]([C:2]([C:1]([H:30])([H:31])[H:32])([H:28])[H:29])([H:26])[H:27])([H:24])[H:25]>>[H]OC1:C(OC([H])([H])[H]):C([H]):C(C([H])=C([H])C(=O)[O:5][C:4]([C:3]([C:2]([C:1]([H:30])([H:31])[H:32])([H:28])[H:29])([H:26])[H:27])([H:24])[H:25]):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-R4956

[H][O:5][C:4]([C:3]([C:2]([C:1]([H:30])([H:31])[H:32])([H:28])[H:29])([H:26])[H:27])([H:24])[H:25].[C:6]([O:7][C:8](=[O:9])[C:10](=[C:11]([C:12]1:[C:13]([H:33]):[C:14]([O:15][C:16]([H:34])([H:35])[H:36]):[C:17]([O:18][H:37]):[C:19]([O:20][C:21]([H:38])([H:39])[H:40]):[C:22]:1[H:41])[H:42])[H:43])([H:44])([H:45])[H:46]>>[C:1]([C:2]([C:3]([C:4]([O:5][C:8](=[O:9])[C:10](=[C:11]([C:12]1:[C:13]([H:33]):[C:14]([O:15][C:16]([H:34])([H:35])[H:36]):[C:17]([O:18][H:37]):[C:19]([O:20][C:21]([H:38])([H:39])[H:40]):[C:22]:1[H:41])[H:42])[H:43])([H:24])[H:25])([H:26])[H:27])([H:28])[H:29])([H:30])([H:31])[H:32].[H][O:7][C:6]([H:44])([H:45])[H:46]