EVODEX Logo

EVODEX.1-P921

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C@@:9]([C:8]([C@@:6]([C:4]([C:2]([C:1]([H:69])([H:70])[H:71])=[O:3])([O:5][H:59])[H:68])([O:7][H:60])[H:67])([H:65])[H:66])([N:10]([H:61])[H:62])[C:11](=[O:12])[O:13][H:63]>>O=[C:9]([C:8]([C@@:6]([C:4]([C:2]([C:1]([H:69])([H:70])[H:71])=[O:3])([O:5][H:59])[H:68])([O:7][H:60])[H:67])([H:65])[H:66])[C:11](=[O:12])[O:13][H:63].[H][N:10]([H:61])[H:62]

Derived Operators

EVODEX.1-F10 - Elemental Balance

O1

EVODEX.1-M6 - Mass Difference

15.9949

EVODEX.1-E420 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:1](-[#6@@:2](-[#6:3]=[#8:4])(-[#6:6])-[H])(-[H:23])-[H:24]>>[#6:2](-[#6:3]=[#8:4])(-[#6:6])=[#8].[#7:1](-[H:23])(-[H:24])-[H]

EVODEX.1-C18 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N40 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:2](-[#7:1](-[H:29])-[H:30])(-[#6:3])-[#6:9]>>[#8]=[#6:2](-[#6:3])-[#6:9].[H]-[#7:1](-[H:29])-[H:30]

EVODEX.1-Em337 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:2](-[#7:1])(-[#6:3]=[#8:4])-[#6:6]>>[#8]=[#6:2](-[#6:3]=[#8:4])-[#6:6].[H]-[#7:1]

EVODEX.1-Cm55 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm113 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:2](-[#7:1])(-[#6:3])-[#6:9]>>[#8]=[#6:2](-[#6:3])-[#6:9].[H]-[#7:1]

Source Full Reactions

EVODEX.1-R900

Full Reaction Rendering

[H][C@@:9]([C:8]([C@@:6]([C:4]([C:2]([C:1]([H:69])([H:70])[H:71])=[O:3])([O:5][H:59])[H:68])([O:7][H:60])[H:67])([H:65])[H:66])([N:10]([H:61])[H:62])[C:11](=[O:12])[O:13][H:63].[N:14]([C:15](=[O:16])[C:17]1:[C:18]([H:72]):[C:19]([H:73]):[C:20]([H:74]):[N+:21]([C@:22]2([H:75])[O:23][C@@:24]([C:25]([O:26][P:27](=[O:28])([O:29][H:76])[O:30][P:31](=[O:32])([O:33][H:77])[O:34][C:35]([C@@:36]3([H:78])[O:37][C@:38]([N:39]4:[C:40]([H:79]):[N:41]:[C:42]5:[C:43]([N:44]([H:80])[H:81]):[N:45]:[C:46]([H:82]):[N:47]:[C:48]:4:5)([H:83])[C@@:49]([O:50][H:84])([H:85])[C@@:51]3([O:52][H:86])[H:87])([H:88])[H:89])([H:90])[H:91])([H:92])[C@:53]([O:54][H:93])([H:94])[C@:55]2([O:56][H:95])[H:96]):[C:57]:1[H:97])([H:98])[H:99].[H][O:58][H]>>[C:1]([C:2](=[O:3])[C:4]([O:5][H:59])([C@@:6]([O:7][H:60])([C:8]([C:9]([C:11](=[O:12])[O:13][H:63])=[O:58])([H:65])[H:66])[H:67])[H:68])([H:69])([H:70])[H:71].[HH].[H][C:18]1([H:72])[C:17]([C:15]([N:14]([H:98])[H:99])=[O:16])=[C:57]([H:97])[N:21]([C@:22]2([H:75])[O:23][C@@:24]([C:25]([O:26][P:27](=[O:28])([O:29][H:76])[O:30][P:31](=[O:32])([O:33][H:77])[O:34][C:35]([C@@:36]3([H:78])[O:37][C@:38]([N:39]4:[C:40]([H:79]):[N:41]:[C:42]5:[C:43]([N:44]([H:80])[H:81]):[N:45]:[C:46]([H:82]):[N:47]:[C:48]:4:5)([H:83])[C@@:49]([O:50][H:84])([H:85])[C@@:51]3([O:52][H:86])[H:87])([H:88])[H:89])([H:90])[H:91])([H:92])[C@:53]([O:54][H:93])([H:94])[C@:55]2([O:56][H:95])[H:96])[C:20]([H:74])=[C:19]1[H:73].[H][N:10]([H:61])[H:62]