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EVODEX.1-P462

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1](=[C:2]([C:3]([C@:4]1([H:61])[C:5]([H:62])([H:63])[C:6]([H:64])([H:65])[C:7]([H:66])([H:67])[C:8]([H:68])([H:69])[C:9]1=[O:10])([H:70])[H:71])[H:72])([H:73])[H:74]>>O1[C@:4]([C:3]([C:2](=[C:1]([H:73])[H:74])[H:72])([H:70])[H:71])([H:61])[C:5]([H:62])([H:63])[C:6]([H:64])([H:65])[C:7]([H:66])([H:67])[C:8]([H:68])([H:69])[C:9]1=[O:10]

Derived Operators

EVODEX.1-F10 - Elemental Balance

O1

EVODEX.1-M6 - Mass Difference

15.9949

EVODEX.1-E424 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:1]-[#6:2](=[#8:3])-[#6:4](-[#6:5])(-[#6:6])-[H:69]>>[#6:1]-[#6:2](=[#8:3])-[#8]-[#6@:4](-[#6:5])(-[#6:6])-[H:69]

EVODEX.1-C99 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:3]-[#6:4]>>[#8](-[#6:3])-[#6:4]

EVODEX.1-N183 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:2]-[#6:3](-[#6:4](-[#6:5])=[#8:6])(-[#6:7])-[H:71]>>[#8](-[#6:3](-[#6:2])(-[#6:7])-[H:71])-[#6:4](-[#6:5])=[#8:6]

EVODEX.1-Em265 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:2]-[#6:3](-[#6:4](-[#6:5])=[#8:6])-[#6:7]>>[#8](-[#6:3](-[#6:2])-[#6:7])-[#6:4](-[#6:5])=[#8:6]

EVODEX.1-Cm121 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:3]-[#6:4]>>[#8](-[#6:3])-[#6:4]

EVODEX.1-Nm263 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:2]-[#6:3](-[#6:4](-[#6:5])=[#8:6])-[#6:7]>>[#8](-[#6:3](-[#6:2])-[#6:7])-[#6:4](-[#6:5])=[#8:6]

Source Full Reactions

EVODEX.1-R440

Full Reaction Rendering

[C:1](=[C:2]([C:3]([C@:4]1([H:61])[C:5]([H:62])([H:63])[C:6]([H:64])([H:65])[C:7]([H:66])([H:67])[C:8]([H:68])([H:69])[C:9]1=[O:10])([H:70])[H:71])[H:72])([H:73])[H:74].[HH].[H][C:58]1([H:101])[C:14]([C:12]([N:11]([H:103])[H:104])=[O:13])=[C:15]([H:75])[N:16]([C@:17]2([H:76])[O:18][C@@:19]([C:20]([O:21][P:22](=[O:23])([O:24][H:77])[O:25][P:26](=[O:27])([O:28][H:78])[O:29][C:30]([C@@:31]3([H:79])[O:32][C@:33]([N:34]4:[C:35]([H:80]):[N:36]:[C:37]5:[C:38]([N:39]([H:81])[H:82]):[N:40]:[C:41]([H:83]):[N:42]:[C:43]:4:5)([H:84])[C@@:44]([O:45][P:46](=[O:47])([O:48][H:85])[O:49][H:86])([H:87])[C@@:50]3([O:51][H:88])[H:89])([H:90])[H:91])([H:92])[H:93])([H:94])[C@:52]([O:53][H:95])([H:96])[C@:54]2([O:55][H:97])[H:98])[C:56]([H:99])=[C:57]1[H:100].[O:59]=[O:60]>>[C:1](=[C:2]([C:3]([C@@:4]1([H:61])[C:5]([H:62])([H:63])[C:6]([H:64])([H:65])[C:7]([H:66])([H:67])[C:8]([H:68])([H:69])[C:9](=[O:10])[O:60]1)([H:70])[H:71])[H:72])([H:73])[H:74].[N:11]([C:12](=[O:13])[C:14]1:[C:15]([H:75]):[N+:16]([C@:17]2([H:76])[O:18][C@@:19]([C:20]([O:21][P:22](=[O:23])([O:24][H:77])[O:25][P:26](=[O:27])([O:28][H:78])[O:29][C:30]([C@@:31]3([H:79])[O:32][C@:33]([N:34]4:[C:35]([H:80]):[N:36]:[C:37]5:[C:38]([N:39]([H:81])[H:82]):[N:40]:[C:41]([H:83]):[N:42]:[C:43]:4:5)([H:84])[C@@:44]([O:45][P:46](=[O:47])([O:48][H:85])[O:49][H:86])([H:87])[C@@:50]3([O:51][H:88])[H:89])([H:90])[H:91])([H:92])[H:93])([H:94])[C@:52]([O:53][H:95])([H:96])[C@:54]2([O:55][H:97])[H:98]):[C:56]([H:99]):[C:57]([H:100]):[C:58]:1[H:101])([H:103])[H:104].[H][O:59][H]