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EVODEX.1-P512

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1](=[C:2]([C:3]([S:4][C:5]1:[C:6]([H:61]):[C:7]([H:62]):[C:8]([H:63]):[C:9]([H:64]):[C:10]:1[H:65])([H:66])[H:67])[H:68])([H:69])[H:70].O=[O:60]>>[C:1](=[C:2]([C:3]([S@@:4]([C:5]1:[C:6]([H:61]):[C:7]([H:62]):[C:8]([H:63]):[C:9]([H:64]):[C:10]:1[H:65])=[O:60])([H:66])[H:67])[H:68])([H:69])[H:70]

Derived Operators

EVODEX.1-F12 - Elemental Balance

O-1

EVODEX.1-M9 - Mass Difference

-15.9949

EVODEX.1-E437 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:3]-[#16:4]-[#6:5].[#8]=[#8:60]>>[#6:3]-[#16@@:4](-[#6:5])=[#8:60]

EVODEX.1-C197 - Reaction Operator C

Reaction Operator C SMIRKS

[#16:4].[#8]=[#8:60]>>[#8:60]=[#16:4]

EVODEX.1-N120 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:3]-[#16:4]-[#6:5].[#8]=[#8:60]>>[#6:3]-[#16@@:4](-[#6:5])=[#8:60]

EVODEX.1-Em199 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:3]-[#16:4]-[#6:5].[#8]=[#8:60]>>[#6:3]-[#16:4](-[#6:5])=[#8:60]

EVODEX.1-Cm116 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#8]-[#16:20].[H]-[#8:32]>>[#16:20]-[#8:32]

EVODEX.1-Nm199 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:3]-[#16:4]-[#6:5].[#8]=[#8:60]>>[#6:3]-[#16:4](-[#6:5])=[#8:60]

Source Full Reactions

EVODEX.1-R488

Full Reaction Rendering

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