EVODEX.1-P4387 - Partial Reaction

SMIRKS

[H]C1:C([O:10][C@:11]2([H:38])[O:12][C@@:13]([C:14]([O:15][C@:16]3([H:39])[O:17][C@:18]([C:19]([H:40])([H:41])[H:42])([H:43])[C@@:20]([O:21][H:44])([H:45])[C@:22]([O:23][H:46])([H:47])[C@:24]3([O:25][H:48])[H:49])([H:50])[H:51])([H:52])[C@:26]([O:27][H:53])([H:54])[C@@:28]([O:29][H:55])([H:56])[C@:30]2([O:31][H:57])[H:58]):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:38])[O:12][C@@:13]([C:14]([O:15][C@:16]2([H:39])[O:17][C@:18]([C:19]([H:40])([H:41])[H:42])([H:43])[C@@:20]([O:21][H:44])([H:45])[C@:22]([O:23][H:46])([H:47])[C@:24]2([O:25][H:48])[H:49])([H:50])[H:51])([H:52])[C@:26]([O:27][H:53])([H:54])[C@@:28]([O:29][H:55])([H:56])[C@:30]1([O:31][H:57])[H:58]

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-R5226

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