EVODEX.1-P2098 - Partial Reaction

SMIRKS

[H][O:6][C:5]([C:2]([C:1]([H:43])([H:44])[H:45])([C:3]([H:34])([H:35])[H:36])[C:4]([H:37])([H:38])[H:39])([H:41])[H:42]>>[H]OC1:C(OC([H])([H])[H]):C([H]):C(C([H])=C([H])C(=O)[O:6][C:5]([C:2]([C:1]([H:43])([H:44])[H:45])([C:3]([H:34])([H:35])[H:36])[C:4]([H:37])([H:38])[H:39])([H:41])[H:42]):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-R2854

[H][O:6][C:5]([C:2]([C:1]([H:43])([H:44])[H:45])([C:3]([H:34])([H:35])[H:36])[C:4]([H:37])([H:38])[H:39])([H:41])[H:42].[C:7]([O:8][C:9]1:[C:10]([H:46]):[C:11]([C:12](=[C:13]([C:14](=[O:15])[O:16][C@:17]2([H:47])[O:18][C@@:19]([C:20]([O:21][H:48])([H:49])[H:50])([H:51])[C@:22]([O:23][H:52])([H:53])[C@@:24]([O:25][H:54])([H:55])[C@:26]2([O:27][H:56])[H:57])[H:58])[H:59]):[C:28]([H:60]):[C:29]([O:30][C:31]([H:61])([H:62])[H:63]):[C:32]:1[O:33][H:64])([H:65])([H:66])[H:67]>>[C:1]([C:2]([C:3]([H:34])([H:35])[H:36])([C:4]([H:37])([H:38])[H:39])[C:5]([O:6][C:14]([C:13](=[C:12]([C:11]1:[C:10]([H:46]):[C:9]([O:8][C:7]([H:65])([H:66])[H:67]):[C:32]([O:33][H:64]):[C:29]([O:30][C:31]([H:61])([H:62])[H:63]):[C:28]:1[H:60])[H:59])[H:58])=[O:15])([H:41])[H:42])([H:43])([H:44])[H:45].[H][O:16][C@:17]1([H:47])[O:18][C@@:19]([C:20]([O:21][H:48])([H:49])[H:50])([H:51])[C@:22]([O:23][H:52])([H:53])[C@@:24]([O:25][H:54])([H:55])[C@:26]1([O:27][H:56])[H:57]