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EVODEX.1-P474

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[Cl:1][C:2]([C:3](=[C:4]([C:5]([Cl:6])([H:53])[H:54])[H:55])[H:56])([H:57])[H:58].O=[O:52]>>[Cl:1][C:2]([C@:3]1([H:56])[C@@:4]([C:5]([Cl:6])([H:53])[H:54])([H:55])[O:52]1)([H:57])[H:58]

Derived Operators

EVODEX.1-F12 - Elemental Balance

O-1

EVODEX.1-M9 - Mass Difference

-15.9949

EVODEX.1-E445 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:1]-[#6:2](=[#6:3](-[#6:4])-[H:123])-[H:124].[#8]=[#8:79]>>[#6:1]-[#6:2]1(-[H:124])-[#6:3](-[#6:4])(-[H:123])-[#8:79]-1

EVODEX.1-C91 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:19]=[#6:20].[#8]=[#8:69]>>[#8:69]1-[#6@@:19]-[#6@@:20]-1

EVODEX.1-N123 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:2]-[#6:3](=[#6:4](-[#6:5])-[H:55])-[H:56].[#8]=[#8:52]>>[#6:2]-[#6@:3]1(-[H:56])-[#6@@:4](-[#6:5])(-[H:55])-[#8:52]-1

EVODEX.1-Em204 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:2]-[#6:3]=[#6:4]-[#6:5].[#8]=[#8:52]>>[#6:2]-[#6:3]1-[#6:4](-[#6:5])-[#8:52]-1

EVODEX.1-Cm117 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:19]=[#6:20].[#8]=[#8:69]>>[#6:19]1-[#6:20]-[#8:69]-1

EVODEX.1-Nm204 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:2]-[#6:3]=[#6:4]-[#6:5].[#8]=[#8:52]>>[#6:2]-[#6:3]1-[#6:4](-[#6:5])-[#8:52]-1

Source Full Reactions

EVODEX.1-R451

Full Reaction Rendering

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