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EVODEX.1-P1134

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][N:51]([C:52]([C:53]([S:54](=[O:55])[O:56][H:61])([H:62])[H:63])([H:64])[H:65])[H:66]>>[H]OC(=O)C([H])(C([H])([H])[H])[N:51]([C:52]([C:53]([S:54](=[O:55])[O:56][H:61])([H:62])[H:63])([H:64])[H:65])[H:66]

Derived Operators

EVODEX.1-F158 - Elemental Balance

O2
C3
H4

EVODEX.1-M257 - Mass Difference

72.02112

EVODEX.1-E822 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:7](-[#6:8])(-[H:32])-[H]>>[#6](-[#6@](-[#6](=[#8])-[#8]-[H])(-[#7:7](-[#6:8])-[H:32])-[H])(-[H])(-[H])-[H]

EVODEX.1-C246 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N256 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7:7](-[#6:8])-[H:32]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#6](-[H])(-[H])-[H])-[#7:7](-[#6:8])-[H:32]

EVODEX.1-Em85 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm5 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm121 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R1063

Full Reaction Rendering

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