EVODEX.1-P2103 - Partial Reaction

SMIRKS

[H][O:33][C:31]([C@:29]([C:28]([C:26](=[O:25])[O:27][H:52])([H:56])[H:57])([O:30][H:53])[H:55])=[O:32]>>[H]OC1:C([H]):C([H]):C(C([H])=C([H])C(=O)[O:33][C:31]([C@:29]([C:28]([C:26](=[O:25])[O:27][H:52])([H:56])[H:57])([O:30][H:53])[H:55])=[O:32]):C([H]):C:1O[H]

Derived Operators

EVODEX.1-F205 - Elemental Balance

C	9
O	3
H	6

EVODEX.1-M129 - Mass Difference

162.03168

EVODEX.1-E908 - Reaction Operator E

[#6:4]-[#8:5]-[H]>>[#6:4]-[#8:5]-[#6](=[#8])-[#6](=[#6](-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#8]-[H]):[#6](-[#8]-[H]):[#6]:1-[H])-[H])-[H]

EVODEX.1-C273 - Reaction Operator C

[H]-[#8:26]>>[H]-[#8]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](-[H])=[#6](-[H])-[#6](=[#8])-[#8:26]):[#6](-[H]):[#6]:1-[#8]-[H]

EVODEX.1-N305 - Reaction Operator N

[H]-[#8:26]-[#6:27]>>[H]-[#8]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](-[H])=[#6](-[H])-[#6](=[#8])-[#8:26]-[#6:27]):[#6](-[H]):[#6]:1-[#8]-[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-R2858

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