EVODEX.1-P4451 - Partial Reaction

SMIRKS

[H]C1:C([O:10][C@:11]2([H:26])[O:12][C:13]([H:27])([H:28])[C@:14]([O:15][H:29])([H:30])[C@@:16]([O:17][H:31])([H:32])[C@:18]2([O:19][H:33])[H:34]):C([H]):C2:O:C(=O):C([H]):C(C([H])([H])[H]):C:2:C:1[H]>>[H][O:10][C@:11]1([H:26])[O:12][C:13]([H:27])([H:28])[C@:14]([O:15][H:29])([H:30])[C@@:16]([O:17][H:31])([H:32])[C@:18]1([O:19][H:33])[H:34]

Derived Operators

EVODEX.1-F184 - Elemental Balance

C	-10
O	-2
H	-6

EVODEX.1-M268 - Mass Difference

-158.03678

EVODEX.1-E880 - Reaction Operator E

[#6](-[#6]1:[#6](-[H]):[#6](=[#8]):[#8]:[#6]2:[#6](-[H]):[#6](-[#8:10]-[#6:11]):[#6](-[H]):[#6](-[H]):[#6]:1:2)(-[H])(-[H])-[H]>>[#8:10](-[#6:11])-[H]

EVODEX.1-C514 - Reaction Operator C

[H]-[#6]1:[#6](-[#8:10]):[#6](-[H]):[#6]2:[#8]:[#6](=[#8]):[#6](-[H]):[#6](-[#6](-[H])(-[H])-[H]):[#6]:2:[#6]:1-[H]>>[H]-[#8:10]

EVODEX.1-N650 - Reaction Operator N

[H]-[#6]1:[#6](-[#8:10]-[#6@:11]):[#6](-[H]):[#6]2:[#8]:[#6](=[#8]):[#6](-[H]):[#6](-[#6](-[H])(-[H])-[H]):[#6]:2:[#6]:1-[H]>>[H]-[#8:10]-[#6@:11]

EVODEX.1-Em614 - Reaction Operator Em

nan

EVODEX.1-Cm8 - Reaction Operator Cm

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

EVODEX.1-Nm549 - Reaction Operator Nm

nan

Source Full Reactions

EVODEX.1-R5292

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