EVODEX.1-P2096 - Partial Reaction

SMIRKS

[H][O:5][C:4]([C:3]([N:2]([C:1]([H:39])([H:40])[H:41])[H:38])([H:36])[H:37])([H:34])[H:35]>>[H]OC1:C(OC([H])([H])[H]):C([H]):C(C([H])=C([H])C(=O)[O:5][C:4]([C:3]([N:2]([C:1]([H:39])([H:40])[H:41])[H:38])([H:36])[H:37])([H:34])[H:35]):C([H]):C:1OC([H])([H])[H]

Derived Operators

EVODEX.1-F232 - Elemental Balance

C	11
O	4
H	10

EVODEX.1-M292 - Mass Difference

206.0579

EVODEX.1-E952 - Reaction Operator E

[#8:17](-[#6:18])-[H]>>[#6](-[#8]-[#6]1:[#6](-[H]):[#6](-[#6](=[#6](-[#6](=[#8])-[#8:17]-[#6:18])-[H])-[H]):[#6](-[H]):[#6](-[#8]-[#6](-[H])(-[H])-[H]):[#6]:1-[#8]-[H])(-[H])(-[H])-[H]

EVODEX.1-C366 - Reaction Operator C

[H]-[#8:17]>>[H]-[#8]-[#6]1:[#6](-[#8]-[#6](-[H])(-[H])-[H]):[#6](-[H]):[#6](-[#6](-[H])=[#6](-[H])-[#6](=[#8])-[#8:17]):[#6](-[H]):[#6]:1-[#8]-[#6](-[H])(-[H])-[H]

EVODEX.1-N419 - Reaction Operator N

[H]-[#8:17]-[#6:18]>>[H]-[#8]-[#6]1:[#6](-[#8]-[#6](-[H])(-[H])-[H]):[#6](-[H]):[#6](-[#6](-[H])=[#6](-[H])-[#6](=[#8])-[#8:17]-[#6:18]):[#6](-[H]):[#6]:1-[#8]-[#6](-[H])(-[H])-[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-R2852

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