EVODEX.1-P2091 - Partial Reaction

SMIRKS

[H][O:34][C:33]([C:32]([N+:29]([C:28]([H:68])([H:69])[H:70])([C:30]([H:57])([H:58])[H:59])[C:31]([H:60])([H:61])[H:62])([H:66])[H:67])([H:64])[H:65]>>[H]OC1:C(OC([H])([H])[H]):C([H]):C(C([H])=C([H])C(=O)[O:34][C:33]([C:32]([N+:29]([C:28]([H:68])([H:69])[H:70])([C:30]([H:57])([H:58])[H:59])[C:31]([H:60])([H:61])[H:62])([H:66])[H:67])([H:64])[H:65]):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-R2849

[C:1]([O:2][C:3]1:[C:4]([H:35]):[C:5]([C:6](=[C:7]([C:8](=[O:9])[O:10][C@:11]2([H:36])[O:12][C@@:13]([C:14]([O:15][H:37])([H:38])[H:39])([H:40])[C@:16]([O:17][H:41])([H:42])[C@@:18]([O:19][H:43])([H:44])[C@:20]2([O:21][H:45])[H:46])[H:47])[H:48]):[C:22]([H:49]):[C:23]([O:24][C:25]([H:50])([H:51])[H:52]):[C:26]:1[O:27][H:53])([H:54])([H:55])[H:56].[H][O:34][C:33]([C:32]([N+:29]([C:28]([H:68])([H:69])[H:70])([C:30]([H:57])([H:58])[H:59])[C:31]([H:60])([H:61])[H:62])([H:66])[H:67])([H:64])[H:65]>>[C:1]([O:2][C:3]1:[C:4]([H:35]):[C:5]([C:6](=[C:7]([C:8](=[O:9])[O:34][C:33]([C:32]([N+:29]([C:28]([H:68])([H:69])[H:70])([C:30]([H:57])([H:58])[H:59])[C:31]([H:60])([H:61])[H:62])([H:66])[H:67])([H:64])[H:65])[H:47])[H:48]):[C:22]([H:49]):[C:23]([O:24][C:25]([H:50])([H:51])[H:52]):[C:26]:1[O:27][H:53])([H:54])([H:55])[H:56].[H][O:10][C:11]1([H:36])[O:12][C@@:13]([C:14]([O:15][H:37])([H:38])[H:39])([H:40])[C@:16]([O:17][H:41])([H:42])[C@@:18]([O:19][H:43])([H:44])[C@:20]1([O:21][H:45])[H:46]

EVODEX.1-R2855

[C:1]([O:2][C:3]1:[C:4]([H:50]):[C:5]([C:6](=[C:7]([C:8](=[O:9])[O:10][C@:11]2([H:51])[O:12][C@@:13]([C:14]([O:15][H:52])([H:53])[H:54])([H:55])[C@:16]([O:17][H:56])([H:57])[C@@:18]([O:19][H:58])([H:59])[C@:20]2([O:21][C:22](=[O:23])[C:24](=[C:25]([C:26]2:[C:27]([H:60]):[C:28]([O:29][C:30]([H:61])([H:62])[H:63]):[C:31]([O:32][H:64]):[C:33]([O:34][C:35]([H:65])([H:66])[H:67]):[C:36]:2[H:68])[H:69])[H:70])[H:71])[H:72])[H:73]):[C:37]([H:74]):[C:38]([O:39][C:40]([H:75])([H:76])[H:77]):[C:41]:1[O:42][H:78])([H:79])([H:80])[H:81].[H][O:49][C:48]([C:47]([N+:44]([C:43]([H:93])([H:94])[H:95])([C:45]([H:82])([H:83])[H:84])[C:46]([H:85])([H:86])[H:87])([H:91])[H:92])([H:89])[H:90]>>[C:1]([O:2][C:3]1:[C:4]([H:50]):[C:5]([C:6](=[C:7]([C:8](=[O:9])[O:49][C:48]([C:47]([N+:44]([C:43]([H:93])([H:94])[H:95])([C:45]([H:82])([H:83])[H:84])[C:46]([H:85])([H:86])[H:87])([H:91])[H:92])([H:89])[H:90])[H:72])[H:73]):[C:37]([H:74]):[C:38]([O:39][C:40]([H:75])([H:76])[H:77]):[C:41]:1[O:42][H:78])([H:79])([H:80])[H:81].[H][O:10][C@:11]1([H:51])[O:12][C@@:13]([C:14]([O:15][H:52])([H:53])[H:54])([H:55])[C@:16]([O:17][H:56])([H:57])[C@@:18]([O:19][H:58])([H:59])[C@:20]1([O:21][C:22](=[O:23])[C:24](=[C:25]([C:26]1:[C:27]([H:60]):[C:28]([O:29][C:30]([H:61])([H:62])[H:63]):[C:31]([O:32][H:64]):[C:33]([O:34][C:35]([H:65])([H:66])[H:67]):[C:36]:1[H:68])[H:69])[H:70])[H:71]