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EVODEX.1-P538

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:10]([C:9](=[C:8]([C:7]([C:6]([C:3]([C:2](=[C:1]([H:74])[H:75])[H:73])([C:4]([H:58])([H:59])[H:60])[O:5][H:61])([H:71])[H:72])([H:69])[H:70])[H:68])[C:11]([H:65])([H:66])[H:67])([H:62])[H:63]>>[H]O[C:10]([C:9](=[C:8]([C:7]([C:6]([C:3]([C:2](=[C:1]([H:74])[H:75])[H:73])([C:4]([H:58])([H:59])[H:60])[O:5][H:61])([H:71])[H:72])([H:69])[H:70])[H:68])[C:11]([H:65])([H:66])[H:67])([H:62])[H:63]

Derived Operators

EVODEX.1-F10 - Elemental Balance

O1

EVODEX.1-M6 - Mass Difference

15.9949

EVODEX.1-E404 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:1](-[#6:2])(-[H:92])(-[H:93])-[H]>>[#6:1](-[#6:2])(-[#8]-[H])(-[H:92])-[H:93]

EVODEX.1-C4 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N170 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:10](-[#6:9])(-[H:62])-[H:63]>>[H]-[#8]-[#6:10](-[#6:9])(-[H:62])-[H:63]

EVODEX.1-Em252 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:10]-[#6:9]>>[H]-[#8]-[#6:10]-[#6:9]

EVODEX.1-Cm32 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm250 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:10]-[#6:9]>>[H]-[#8]-[#6:10]-[#6:9]

Source Full Reactions

EVODEX.1-R514

Full Reaction Rendering

[H][C:10]([C:9](=[C:8]([C:7]([C:6]([C:3]([C:2](=[C:1]([H:74])[H:75])[H:73])([C:4]([H:58])([H:59])[H:60])[O:5][H:61])([H:71])[H:72])([H:69])[H:70])[H:68])[C:11]([H:65])([H:66])[H:67])([H:62])[H:63].[HH].[H][C:55]1([H:101])[C:15]([C:13]([N:12]([H:103])[H:104])=[O:14])=[C:16]([H:76])[N:17]([C@:18]2([H:77])[O:19][C@@:20]([C:21]([O:22][P:23](=[O:24])([O:25][H:78])[O:26][P:27](=[O:28])([O:29][H:79])[O:30][C:31]([C@@:32]3([H:80])[O:33][C@:34]([N:35]4:[C:36]([H:81]):[N:37]:[C:38]5:[C:39]([N:40]([H:82])[H:83]):[N:41]:[C:42]([H:84]):[N:43]:[C:44]:4:5)([H:85])[C@@:45]([O:46][H:86])([H:87])[C@@:47]3([O:48][H:88])[H:89])([H:90])[H:91])([H:92])[H:93])([H:94])[C@:49]([O:50][H:95])([H:96])[C@:51]2([O:52][H:97])[H:98])[C:53]([H:99])=[C:54]1[H:100].[O:56]=[O:57]>>[H][O:56][C:10]([C:9](=[C:8]([C:7]([C:6]([C:3]([C:2](=[C:1]([H:74])[H:75])[H:73])([C:4]([H:58])([H:59])[H:60])[O:5][H:61])([H:71])[H:72])([H:69])[H:70])[H:68])[C:11]([H:65])([H:66])[H:67])([H:62])[H:63].[N:12]([C:13](=[O:14])[C:15]1:[C:16]([H:76]):[N+:17]([C@:18]2([H:77])[O:19][C@@:20]([C:21]([O:22][P:23](=[O:24])([O:25][H:78])[O:26][P:27](=[O:28])([O:29][H:79])[O:30][C:31]([C@@:32]3([H:80])[O:33][C@:34]([N:35]4:[C:36]([H:81]):[N:37]:[C:38]5:[C:39]([N:40]([H:82])[H:83]):[N:41]:[C:42]([H:84]):[N:43]:[C:44]:4:5)([H:85])[C@@:45]([O:46][H:86])([H:87])[C@@:47]3([O:48][H:88])[H:89])([H:90])[H:91])([H:92])[H:93])([H:94])[C@:49]([O:50][H:95])([H:96])[C@:51]2([O:52][H:97])[H:98]):[C:53]([H:99]):[C:54]([H:100]):[C:55]:1[H:101])([H:103])[H:104].[H][O:57][H]