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EVODEX.1-P536

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:5]1([H:65])[C@:4]([C:2](=[C:1]([H:75])[H:76])[C:3]([H:61])([H:62])[H:63])([H:64])[C:10]([H:73])([H:74])[C:9]([H:71])([H:72])[C:7]([C:8]([H:68])([H:69])[H:70])=[C:6]1[H:67]>>[H]O[C@:5]1([H:65])[C@:4]([C:2](=[C:1]([H:75])[H:76])[C:3]([H:61])([H:62])[H:63])([H:64])[C:10]([H:73])([H:74])[C:9]([H:71])([H:72])[C:7]([C:8]([H:68])([H:69])[H:70])=[C:6]1[H:67]

Derived Operators

EVODEX.1-F10 - Elemental Balance

O1

EVODEX.1-M6 - Mass Difference

15.9949

EVODEX.1-E405 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:4]-[#6:5](-[#6:6])(-[H:103])-[H]>>[#6:4]-[#6@:5](-[#6:6])(-[#8]-[H])-[H:103]

EVODEX.1-C4 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:5]>>[H]-[#8]-[#6:5]

EVODEX.1-N139 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:5](-[H:65])(-[#6@:4])-[#6:6]>>[H]-[#8]-[#6@:5](-[H:65])(-[#6@:4])-[#6:6]

EVODEX.1-Em222 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:5](-[#6:4])-[#6:6]>>[H]-[#8]-[#6:5](-[#6:4])-[#6:6]

EVODEX.1-Cm32 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:5]>>[#8]-[#6:5]

EVODEX.1-Nm221 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:5](-[#6:4])-[#6:6]>>[H]-[#8]-[#6:5](-[#6:4])-[#6:6]

Source Full Reactions

EVODEX.1-R512

Full Reaction Rendering

[H][C:5]1([H:65])[C@:4]([C:2](=[C:1]([H:75])[H:76])[C:3]([H:61])([H:62])[H:63])([H:64])[C:10]([H:73])([H:74])[C:9]([H:71])([H:72])[C:7]([C:8]([H:68])([H:69])[H:70])=[C:6]1[H:67].[HH].[H][C:58]1([H:103])[C:14]([C:12]([N:11]([H:105])[H:106])=[O:13])=[C:15]([H:77])[N:16]([C@:17]2([H:78])[O:18][C@@:19]([C:20]([O:21][P:22](=[O:23])([O:24][H:79])[O:25][P:26](=[O:27])([O:28][H:80])[O:29][C:30]([C@@:31]3([H:81])[O:32][C@:33]([N:34]4:[C:35]([H:82]):[N:36]:[C:37]5:[C:38]([N:39]([H:83])[H:84]):[N:40]:[C:41]([H:85]):[N:42]:[C:43]:4:5)([H:86])[C@@:44]([O:45][P:46](=[O:47])([O:48][H:87])[O:49][H:88])([H:89])[C@@:50]3([O:51][H:90])[H:91])([H:92])[H:93])([H:94])[H:95])([H:96])[C@:52]([O:53][H:97])([H:98])[C@:54]2([O:55][H:99])[H:100])[C:56]([H:101])=[C:57]1[H:102].[O:59]=[O:60]>>[H][O:59][C@:5]1([H:65])[C@:4]([C:2](=[C:1]([H:75])[H:76])[C:3]([H:61])([H:62])[H:63])([H:64])[C:10]([H:73])([H:74])[C:9]([H:71])([H:72])[C:7]([C:8]([H:68])([H:69])[H:70])=[C:6]1[H:67].[N:11]([C:12](=[O:13])[C:14]1:[C:15]([H:77]):[N+:16]([C@:17]2([H:78])[O:18][C@@:19]([C:20]([O:21][P:22](=[O:23])([O:24][H:79])[O:25][P:26](=[O:27])([O:28][H:80])[O:29][C:30]([C@@:31]3([H:81])[O:32][C@:33]([N:34]4:[C:35]([H:82]):[N:36]:[C:37]5:[C:38]([N:39]([H:83])[H:84]):[N:40]:[C:41]([H:85]):[N:42]:[C:43]:4:5)([H:86])[C@@:44]([O:45][P:46](=[O:47])([O:48][H:87])[O:49][H:88])([H:89])[C@@:50]3([O:51][H:90])[H:91])([H:92])[H:93])([H:94])[H:95])([H:96])[C@:52]([O:53][H:97])([H:98])[C@:54]2([O:55][H:99])[H:100]):[C:56]([H:101]):[C:57]([H:102]):[C:58]:1[H:103])([H:105])[H:106].[H][O:60][H]