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EVODEX.1-P1110

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2](=[O:3])[C:4](=[O:5])[O:6][H:64])([H:65])([H:66])[H:67].[H][N:12]([C@@:11]([C:10]([C:9]([S:8][C:7]([H:76])([H:77])[H:78])([H:74])[H:75])([H:72])[H:73])([C:13](=[O:14])[O:15][H:70])[H:71])[H:68]>>[H][C@@:2]([C:1]([H:65])([H:66])[H:67])([C:4](=[O:5])[O:6][H:64])[N:12]([C@@:11]([C:10]([C:9]([S:8][C:7]([H:76])([H:77])[H:78])([H:74])[H:75])([H:72])[H:73])([C:13](=[O:14])[O:15][H:70])[H:71])[H:68].[H][O:3][H]

Derived Operators

EVODEX.1-F2 - Elemental Balance

H2

EVODEX.1-M3 - Mass Difference

2.01566

EVODEX.1-E33 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:2]-[#6:3](=[#8:4])-[#6:5]=[#8:6].[#6:8]-[#6@:9](-[#7:10](-[H:64])-[H])(-[#6:11])-[H:67]>>[#6:2]-[#6:3](-[#6:5]=[#8:6])(-[#7:10](-[#6@@:9](-[#6:8])(-[#6:11])-[H:67])-[H:64])-[H].[#8:4](-[H])-[H]

EVODEX.1-C27 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#7:49].[#6:61]=[#8:62]>>[H]-[#6:61]-[#7:49].[H]-[#8:62]-[H]

EVODEX.1-N47 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7:49](-[#6:50])-[H:105].[#6:59]-[#6:61](=[#8:62])-[#6:63]>>[H]-[#6:61](-[#7:49](-[#6:50])-[H:105])(-[#6:59])-[#6:63].[H]-[#8:62]-[H]

EVODEX.1-Em84 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#7:49]-[#6:50].[#8:58]=[#6:59]-[#6:61](=[#8:62])-[#6:63]>>[H]-[#6:61](-[#7:49]-[#6:50])(-[#6:59]=[#8:58])-[#6:63].[H]-[#8:62]-[H]

EVODEX.1-Cm66 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#7:49].[#6:61]=[#8:62]>>[H]-[#6:61]-[#7:49].[H]-[#8:62]-[H]

EVODEX.1-Nm120 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#7:49]-[#6:50].[#6:59]-[#6:61](=[#8:62])-[#6:63]>>[H]-[#6:61](-[#7:49]-[#6:50])(-[#6:59])-[#6:63].[H]-[#8:62]-[H]

Source Full Reactions

EVODEX.1-R1042

Full Reaction Rendering

[C:1]([C:2](=[O:3])[C:4](=[O:5])[O:6][H:64])([H:65])([H:66])[H:67].[H][N:12]([C@@:11]([C:10]([C:9]([S:8][C:7]([H:76])([H:77])[H:78])([H:74])[H:75])([H:72])[H:73])([C:13](=[O:14])[O:15][H:70])[H:71])[H:68].[HH].[H][C:63]1([H:105])[C:19]([C:17]([N:16]([H:107])[H:108])=[O:18])=[C:20]([H:79])[N:21]([C@:22]2([H:80])[O:23][C@@:24]([C:25]([O:26][P:27](=[O:28])([O:29][H:81])[O:30][P:31](=[O:32])([O:33][H:82])[O:34][C:35]([C@@:36]3([H:83])[O:37][C@:38]([N:39]4:[C:40]([H:84]):[N:41]:[C:42]5:[C:43]([N:44]([H:85])[H:86]):[N:45]:[C:46]([H:87]):[N:47]:[C:48]:4:5)([H:88])[C@@:49]([O:50][P:51](=[O:52])([O:53][H:89])[O:54][H:90])([H:91])[C@@:55]3([O:56][H:92])[H:93])([H:94])[H:95])([H:96])[H:97])([H:98])[C@:57]([O:58][H:99])([H:100])[C@:59]2([O:60][H:101])[H:102])[C:61]([H:103])=[C:62]1[H:104]>>[H][C@@:2]([C:1]([H:65])([H:66])[H:67])([C:4](=[O:5])[O:6][H:64])[N:12]([C@@:11]([C:10]([C:9]([S:8][C:7]([H:76])([H:77])[H:78])([H:74])[H:75])([H:72])[H:73])([C:13](=[O:14])[O:15][H:70])[H:71])[H:68].[N:16]([C:17](=[O:18])[C:19]1:[C:20]([H:79]):[N+:21]([C@:22]2([H:80])[O:23][C@@:24]([C:25]([O:26][P:27](=[O:28])([O:29][H:81])[O:30][P:31](=[O:32])([O:33][H:82])[O:34][C:35]([C@@:36]3([H:83])[O:37][C@:38]([N:39]4:[C:40]([H:84]):[N:41]:[C:42]5:[C:43]([N:44]([H:85])[H:86]):[N:45]:[C:46]([H:87]):[N:47]:[C:48]:4:5)([H:88])[C@@:49]([O:50][P:51](=[O:52])([O:53][H:89])[O:54][H:90])([H:91])[C@@:55]3([O:56][H:92])[H:93])([H:94])[H:95])([H:96])[H:97])([H:98])[C@:57]([O:58][H:99])([H:100])[C@:59]2([O:60][H:101])[H:102]):[C:61]([H:103]):[C:62]([H:104]):[C:63]:1[H:105])([H:107])[H:108].[H][O:3][H]