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EVODEX.1-P23

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([N:2]([C:3]([H:58])([H:59])[H:60])[C:4]1:[C:5]([H:61]):[C:6]([H:62]):[C:7]([C:8](=[C:9]([C:10](=[O:11])[H:63])[H:64])[H:65]):[C:12]([H:66]):[C:13]:1[H:67])([H:68])([H:69])[H:70]>>[H][C:10]([C:9](=[C:8]([C:7]1:[C:6]([H:62]):[C:5]([H:61]):[C:4]([N:2]([C:1]([H:68])([H:69])[H:70])[C:3]([H:58])([H:59])[H:60]):[C:13]([H:67]):[C:12]:1[H:66])[H:65])[H:64])([O:11][H])[H:63]

Derived Operators

EVODEX.1-F2 - Elemental Balance

H2

EVODEX.1-M3 - Mass Difference

2.01566

EVODEX.1-C9 - Reaction Operator C

Reaction Operator C SMIRKS

[#8:49]=[#6:50]>>[H]-[#8:49]-[#6:50]-[H]

EVODEX.1-N89 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:8]-[#6:9](=[#8:10])-[H:55]>>[H]-[#6:9](-[#6:8])(-[#8:10]-[H])-[H:55]

EVODEX.1-Em155 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:7]=[#6:8]-[#6:9]=[#8:10]>>[H]-[#6:9](-[#6:8]=[#6:7])-[#8:10]-[H]

EVODEX.1-Cm28 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#8:49]=[#6:50]>>[H]-[#8:49]-[#6:50]-[H]

EVODEX.1-Nm52 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:13]-[#6:14]=[#8:15]>>[H]-[#6:14](-[#6:13])-[#8:15]-[H]

Source Full Reactions

EVODEX.1-R24

Full Reaction Rendering

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