EVODEX Logo

EVODEX.1-P704

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]O[C:10]([C:9]1:[C:8]([H:62]):[N:7]([H:61]):[C:6]2:[C:5]([H:60]):[C:4]([H:59]):[C:3]([O:2][C:1]([H:65])([H:66])[H:67]):[C:14]([H:64]):[C:13]:2:1)=[O:11]>>[H][C:10]([C:9]1:[C:8]([H:62]):[N:7]([H:61]):[C:6]2:[C:5]([H:60]):[C:4]([H:59]):[C:3]([O:2][C:1]([H:65])([H:66])[H:67]):[C:14]([H:64]):[C:13]:2:1)=[O:11]

Derived Operators

EVODEX.1-F12 - Elemental Balance

O-1

EVODEX.1-M9 - Mass Difference

-15.9949

EVODEX.1-E432 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:6]-[#6:7](=[#8:8])-[#8]-[H]>>[#6:6]-[#6:7](=[#8:8])-[H]

EVODEX.1-C90 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N213 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8]-[#6:7](-[#6:6])=[#8:8]>>[H]-[#6:7](-[#6:6])=[#8:8]

EVODEX.1-Em306 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#8]-[#6:7](-[#6:6])=[#8:8]>>[H]-[#6:7](-[#6:6])=[#8:8]

EVODEX.1-Cm115 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm299 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#8]-[#6:7](-[#6:6])=[#8:8]>>[H]-[#6:7](-[#6:6])=[#8:8]

Source Full Reactions

EVODEX.1-R659

Full Reaction Rendering

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