EVODEX Logo

EVODEX.1-P654

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:8]1:[N:7]([H:59]):[C:6]2:[N:5]:[C:3]([O:4][H:58]):[N:2]([C:1]([H:61])([H:62])[H:63]):[C:11](=[O:12]):[C:10]:2:[N:9]:1>>[H]O[C:8]1:[N:7]([H:59]):[C:6]2:[N:5]:[C:3]([O:4][H:58]):[N:2]([C:1]([H:61])([H:62])[H:63]):[C:11](=[O:12]):[C:10]:2:[N:9]:1

Derived Operators

EVODEX.1-F10 - Elemental Balance

O1

EVODEX.1-M6 - Mass Difference

15.9949

EVODEX.1-E410 - Reaction Operator E

Reaction Operator E SMIRKS

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

EVODEX.1-C4 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N204 - Reaction Operator N

Reaction Operator N SMIRKS

nan

EVODEX.1-Em292 - Reaction Operator Em

Reaction Operator Em SMIRKS

nan

EVODEX.1-Cm32 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm290 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

nan

Source Full Reactions

EVODEX.1-R604

Full Reaction Rendering

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

EVODEX.1-R610

Full Reaction Rendering

[H][C:8]1:[N:7]([H:17]):[C:6]2:[N:5]:[C:3]([O:4][H:16]):[N:2]([C:1]([H:19])([H:20])[H:21]):[C:11](=[O:12]):[C:10]:2:[N:9]:1.[O:14]=[O:15].[H][O:13][H:22]>>[C:1]([N:2]1:[C:3]([O:4][H:16]):[N:5]:[C:6]2:[N:7]([H:17]):[C:8]([O:13][H:22]):[N:9]:[C:10]:2:[C:11]:1=[O:12])([H:19])([H:20])[H:21].[H][O:14][O:15][H]