EVODEX.1-P4382 - Partial Reaction

SMIRKS

[H]C1:C([O:10][C@:11]2([H:39])[O:12][C@@:13]([C:14]([O:15][C@@:16]3([H:40])[O:17][C@@:18]([C:19]([O:20][H:41])([H:42])[H:43])([H:44])[C@:21]([O:22][H:45])([H:46])[C@@:23]([O:24][H:47])([H:48])[C@@:25]3([O:26][H:49])[H:50])([H:51])[H:52])([H:53])[C@:27]([O:28][H:54])([H:55])[C@@:29]([O:30][H:56])([H:57])[C@@:31]2([O:32][H:58])[H:59]):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:39])[O:12][C@@:13]([C:14]([O:15][C@@:16]2([H:40])[O:17][C@@:18]([C:19]([O:20][H:41])([H:42])[H:43])([H:44])[C@:21]([O:22][H:45])([H:46])[C@@:23]([O:24][H:47])([H:48])[C@@:25]2([O:26][H:49])[H:50])([H:51])[H:52])([H:53])[C@:27]([O:28][H:54])([H:55])[C@@:29]([O:30][H:56])([H:57])[C@@:31]1([O:32][H:58])[H:59]

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-R5220

[C:1]([C:2]1:[C:3]([H:37]):[C:4](=[O:5]):[O:6]:[C:7]2:[C:8]([H:38]):[C:9]([O:10][C@:11]3([H:39])[O:12][C@@:13]([C:14]([O:15][C@@:16]4([H:40])[O:17][C@@:18]([C:19]([O:20][H:41])([H:42])[H:43])([H:44])[C@:21]([O:22][H:45])([H:46])[C@@:23]([O:24][H:47])([H:48])[C@@:25]4([O:26][H:49])[H:50])([H:51])[H:52])([H:53])[C@:27]([O:28][H:54])([H:55])[C@@:29]([O:30][H:56])([H:57])[C@@:31]3([O:32][H:58])[H:59]):[C:33]([H:60]):[C:34]([H:61]):[C:35]:1:2)([H:62])([H:63])[H:64].[H][O:36][H:65]>>[C:1]([C:2]1:[C:3]([H:37]):[C:4](=[O:5]):[O:6]:[C:7]2:[C:8]([H:38]):[C:9]([O:36][H:65]):[C:33]([H:60]):[C:34]([H:61]):[C:35]:1:2)([H:62])([H:63])[H:64].[H][O:10][C@:11]1([H:39])[O:12][C@@:13]([C:14]([O:15][C@@:16]2([H:40])[O:17][C@@:18]([C:19]([O:20][H:41])([H:42])[H:43])([H:44])[C@:21]([O:22][H:45])([H:46])[C@@:23]([O:24][H:47])([H:48])[C@@:25]2([O:26][H:49])[H:50])([H:51])[H:52])([H:53])[C@:27]([O:28][H:54])([H:55])[C@@:29]([O:30][H:56])([H:57])[C@@:31]1([O:32][H:58])[H:59]