EVODEX Logo

EVODEX.1-P1136

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]OC(=O)C([H])(C([H])([H])[H])[N:3]([C:4]([S:5](=[O:6])(=[O:7])[O:8][H:57])([H:58])[H:59])[H:60]>>[H][N:3]([C:4]([S:5](=[O:6])(=[O:7])[O:8][H:57])([H:58])[H:59])[H:60]

Derived Operators

EVODEX.1-F96 - Elemental Balance

O-2
C-3
H-4

EVODEX.1-M228 - Mass Difference

-72.02112

EVODEX.1-E681 - Reaction Operator E

Reaction Operator E SMIRKS

[#6](-[#6](-[#7:3](-[#6:4])-[H:60])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])(-[H])-[H]>>[#7:3](-[#6:4])(-[H:60])-[H]

EVODEX.1-C242 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N228 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#7:3](-[#6:4])-[H:60]>>[H]-[#7:3](-[#6:4])-[H:60]

EVODEX.1-Em83 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm1 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm112 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R1065

Full Reaction Rendering

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