EVODEX Logo

EVODEX.1-P1204

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]O[N:46]([C:47]1:[C:48]([H:86]):[C:49]([H:87]):[C:50]([H:88]):[C:51]2:[C:52]([H:89]):[C:53]([H:90]):[C:54]([H:91]):[C:55]([H:92]):[C:56]:1:2)[H:93]>>[H][N:46]([C:47]1:[C:48]([H:86]):[C:49]([H:87]):[C:50]([H:88]):[C:51]2:[C:52]([H:89]):[C:53]([H:90]):[C:54]([H:91]):[C:55]([H:92]):[C:56]:1:2)[H:93]

Derived Operators

EVODEX.1-F12 - Elemental Balance

O-1

EVODEX.1-M9 - Mass Difference

-15.9949

EVODEX.1-E431 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:56]-[#7:57](-[#8]-[H])-[H:94]>>[#6:56]-[#7:57](-[H:94])-[H]

EVODEX.1-C250 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8]-[#7:2]>>[H]-[#7:2]

EVODEX.1-N265 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8]-[#7:2](-[#6:1])-[H:49]>>[H]-[#7:2](-[#6:1])-[H:49]

EVODEX.1-Em386 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#8]-[#7:2]-[#6:1]>>[H]-[#7:2]-[#6:1]

EVODEX.1-Cm225 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#8]-[#7:2]>>[H]-[#7:2]

EVODEX.1-Nm346 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#8]-[#7:2]-[#6:1]>>[H]-[#7:2]-[#6:1]

Source Full Reactions

EVODEX.1-R1127

Full Reaction Rendering

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