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EVODEX.1-P1201

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2]1:[C:3]([H:63]):[C:4]([N:5]([S:6](=[O:7])(=[O:8])[C:9]2:[C:10]([H:64]):[C:11]([H:65]):[C:12]([N:13]([O:14][H:66])[H:67]):[C:15]([H:68]):[C:16]:2[H:69])[H:70]):[N:17]:[O:18]:1)([H:71])([H:72])[H:73]>>[H][N:13]([C:12]1:[C:11]([H:65]):[C:10]([H:64]):[C:9]([S:6]([N:5]([C:4]2:[C:3]([H:63]):[C:2]([C:1]([H:71])([H:72])[H:73]):[O:18]:[N:17]:2)[H:70])(=[O:7])=[O:8]):[C:16]([H:69]):[C:15]:1[H:68])[H:67].[H][O:14][H:66]

Derived Operators

EVODEX.1-F2 - Elemental Balance

H2

EVODEX.1-M3 - Mass Difference

2.01566

EVODEX.1-E4 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:56]-[#7:57](-[#8:58]-[H:93])-[H:94]>>[#6:56]-[#7:57](-[H:94])-[H].[#8:58](-[H:93])-[H]

EVODEX.1-C249 - Reaction Operator C

Reaction Operator C SMIRKS

[#7:57]-[#8:58]>>[H]-[#7:57].[H]-[#8:58]

EVODEX.1-N264 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:56]-[#7:57](-[#8:58]-[H:93])-[H:94]>>[H]-[#7:57](-[#6:56])-[H:94].[H]-[#8:58]-[H:93]

EVODEX.1-Em385 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:56]-[#7:57]-[#8:58]>>[H]-[#7:57]-[#6:56].[H]-[#8:58]

EVODEX.1-Cm224 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#7:57]-[#8:58]>>[H]-[#7:57].[H]-[#8:58]

EVODEX.1-Nm345 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:56]-[#7:57]-[#8:58]>>[H]-[#7:57]-[#6:56].[H]-[#8:58]

Source Full Reactions

EVODEX.1-R1125

Full Reaction Rendering

[C:1]([C:2]1:[C:3]([H:63]):[C:4]([N:5]([S:6](=[O:7])(=[O:8])[C:9]2:[C:10]([H:64]):[C:11]([H:65]):[C:12]([N:13]([O:14][H:66])[H:67]):[C:15]([H:68]):[C:16]:2[H:69])[H:70]):[N:17]:[O:18]:1)([H:71])([H:72])[H:73].[HH].[H][C:62]1([H:99])[C:22]([C:20]([N:19]([H:101])[H:102])=[O:21])=[C:23]([H:74])[N:24]([C@:25]2([H:75])[O:26][C@@:27]([C:28]([O:29][P:30](=[O:31])([O:32][H:76])[O:33][P:34](=[O:35])([O:36][H:77])[O:37][C:38]([C@@:39]3([H:78])[O:40][C@:41]([N:42]4:[C:43]([H:79]):[N:44]:[C:45]5:[C:46]([N:47]([H:80])[H:81]):[N:48]:[C:49]([H:82]):[N:50]:[C:51]:4:5)([H:83])[C@@:52]([O:53][H:84])([H:85])[C@@:54]3([O:55][H:86])[H:87])([H:88])[H:89])([H:90])[H:91])([H:92])[C@:56]([O:57][H:93])([H:94])[C@:58]2([O:59][H:95])[H:96])[C:60]([H:97])=[C:61]1[H:98]>>[H][N:13]([C:12]1:[C:11]([H:65]):[C:10]([H:64]):[C:9]([S:6]([N:5]([C:4]2:[C:3]([H:63]):[C:2]([C:1]([H:71])([H:72])[H:73]):[O:18]:[N:17]:2)[H:70])(=[O:7])=[O:8]):[C:16]([H:69]):[C:15]:1[H:68])[H:67].[N:19]([C:20](=[O:21])[C:22]1:[C:23]([H:74]):[N+:24]([C@:25]2([H:75])[O:26][C@@:27]([C:28]([O:29][P:30](=[O:31])([O:32][H:76])[O:33][P:34](=[O:35])([O:36][H:77])[O:37][C:38]([C@@:39]3([H:78])[O:40][C@:41]([N:42]4:[C:43]([H:79]):[N:44]:[C:45]5:[C:46]([N:47]([H:80])[H:81]):[N:48]:[C:49]([H:82]):[N:50]:[C:51]:4:5)([H:83])[C@@:52]([O:53][H:84])([H:85])[C@@:54]3([O:55][H:86])[H:87])([H:88])[H:89])([H:90])[H:91])([H:92])[C@:56]([O:57][H:93])([H:94])[C@:58]2([O:59][H:95])[H:96]):[C:60]([H:97]):[C:61]([H:98]):[C:62]:1[H:99])([H:101])[H:102].[H][O:14][H:66]