EVODEX.1-P4458 - Partial Reaction

SMIRKS

[H]C1:C([O:10][C@:11]2([H:27])[O:12][C@@:13]([C:14]([H:28])([H:29])[H:30])([H:31])[C@@:15]([O:16][H:32])([H:33])[C@@:17]([O:18][H:34])([H:35])[C@:19]2([O:20][H:36])[H:37]):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:27])[O:12][C@@:13]([C:14]([H:28])([H:29])[H:30])([H:31])[C@@:15]([O:16][H:32])([H:33])[C@@:17]([O:18][H:34])([H:35])[C@:19]1([O:20][H:36])[H:37]

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-R5299

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